N-(2-bromanyl-4-methyl-phenyl)-2-[[5-(3-oxidanylidenenaphthalen-2-ylidene)-4-prop-2-enyl-1H-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(2-bromanyl-4-methyl-phenyl)-2-[[5-(3-oxidanylidenenaphthalen-2-ylidene)-4-prop-2-enyl-1H-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-allyl-5-(3-oxo-2-naphthylidene)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(2-bromo-4-methyl-phenyl)acetamide CAS Name: N-(2-bromo-4-methylphenyl)-2-[[5-(3-oxo-2-naphthalenylidene)-4-prop-2-enyl-1H-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(2-bromo-4-methylphenyl)-2-[[5-(3-oxonaphthalen-2-ylidene)-4-prop-2-enyl-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[4-allyl-5-(3-keto-2-naphthylidene)-1H-1,2,4-triazol-3-yl]thio]-N-(2-bromo-4-methyl-phenyl)acetamide Formula: C24H21BrN4O2S MolecularWeight: 509.41814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CSC2=NNC(=C3C=C4C=CC=CC4=CC3=O)N2CC=C)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CSC2=NNC(=C3C=C4C=CC=CC4=CC3=O)N2CC=C)Br

InChI

InChI=1S/C24H21BrN4O2S/c1-3-10-29-23(18-12-16-6-4-5-7-17(16)13-21(18)30)27-28-24(29)32-14-22(31)26-20-9-8-15(2)11-19(20)25/h3-9,11-13,27H,1,10,14H2,2H3,(H,26,31)