2-[[(5Z)-5-indol-3-ylidene-4-(oxolan-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-N-phenyl-propanamide

Systemtic Name: 2-[[(5Z)-5-indol-3-ylidene-4-(oxolan-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-N-phenyl-propanamide Openeye Name: 2-[[(5Z)-5-indol-3-ylidene-4-(tetrahydrofuran-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-N-phenyl-propanamide CAS Name: 2-[[(5Z)-5-(3-indolylidene)-4-(2-oxolanylmethyl)-1H-1,2,4-triazol-3-yl]thio]-N-methyl-N-phenylpropanamide IUPAC Name: 2-[[(5Z)-5-indol-3-ylidene-4-(oxolan-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-N-phenylpropanamide Traditional Name: 2-[[(5Z)-5-indol-3-ylidene-4-(tetrahydrofurfuryl)-1H-1,2,4-triazol-3-yl]thio]-N-methyl-N-phenyl-propionamide Formula: C25H27N5O2S MolecularWeight: 461.57918

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)C1=CC=CC=C1)SC2=NNC(=C3C=NC4=CC=CC=C43)N2CC5CCCO5

Isomeric SMILES

CC(C(=O)N(C)C1=CC=CC=C1)SC2=NN/C(=C/3\C=NC4=CC=CC=C43)/N2CC5CCCO5

InChI

InChI=1S/C25H27N5O2S/c1-17(24(31)29(2)18-9-4-3-5-10-18)33-25-28-27-23(30(25)16-19-11-8-14-32-19)21-15-26-22-13-7-6-12-20(21)22/h3-7,9-10,12-13,15,17,19,27H,8,11,14,16H2,1-2H3/b23-21-