N-(3-acetamido-4-methyl-phenyl)-2-[[5-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-4-(oxolan-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(3-acetamido-4-methyl-phenyl)-2-[[5-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-4-(oxolan-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(3-acetamido-4-methyl-phenyl)-2-[[5-(4-oxocyclohexa-2,5-dien-1-ylidene)-4-(tetrahydrofuran-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(3-acetamido-4-methylphenyl)-2-[[5-(4-oxo-1-cyclohexa-2,5-dienylidene)-4-(2-oxolanylmethyl)-1H-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(3-acetamido-4-methylphenyl)-2-[[5-(4-oxocyclohexa-2,5-dien-1-ylidene)-4-(oxolan-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(3-acetamido-4-methyl-phenyl)-2-[[5-(4-ketocyclohexa-2,5-dien-1-ylidene)-4-(tetrahydrofurfuryl)-1H-1,2,4-triazol-3-yl]thio]acetamide Formula: C24H27N5O4S MolecularWeight: 481.56728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CSC2=NNC(=C3C=CC(=O)C=C3)N2CC4CCCO4)NC(=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CSC2=NNC(=C3C=CC(=O)C=C3)N2CC4CCCO4)NC(=O)C

InChI

InChI=1S/C24H27N5O4S/c1-15-5-8-18(12-21(15)25-16(2)30)26-22(32)14-34-24-28-27-23(17-6-9-19(31)10-7-17)29(24)13-20-4-3-11-33-20/h5-10,12,20,27H,3-4,11,13-14H2,1-2H3,(H,25,30)(H,26,32)