N-(3-acetamidophenyl)-2-[[5-(phenylazanylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(3-acetamidophenyl)-2-[[5-(phenylazanylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(3-acetamidophenyl)-2-[[4-allyl-5-(anilinomethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(3-acetamidophenyl)-2-[[5-(anilinomethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(3-acetamidophenyl)-2-[[5-(anilinomethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(3-acetamidophenyl)-2-[[4-allyl-5-(anilinomethyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C22H24N6O2S MolecularWeight: 436.52996

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=CC=C1)NC(=O)CSC2=NN=C(N2CC=C)CNC3=CC=CC=C3

Isomeric SMILES

CC(=O)NC1=CC(=CC=C1)NC(=O)CSC2=NN=C(N2CC=C)CNC3=CC=CC=C3

InChI

InChI=1S/C22H24N6O2S/c1-3-12-28-20(14-23-17-8-5-4-6-9-17)26-27-22(28)31-15-21(30)25-19-11-7-10-18(13-19)24-16(2)29/h3-11,13,23H,1,12,14-15H2,2H3,(H,24,29)(H,25,30)