N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-[(E)-1,3-benzodioxol-5-ylmethyleneamino]-2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: 2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)thio]-N-[(E)-piperonylideneamino]acetamide Formula: C19H17N5O3S MolecularWeight: 395.43498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2=CC=CC=C2)SCC(=O)NN=CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=NN=C(N1C2=CC=CC=C2)SCC(=O)N/N=C/C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H17N5O3S/c1-13-21-23-19(24(13)15-5-3-2-4-6-15)28-11-18(25)22-20-10-14-7-8-16-17(9-14)27-12-26-16/h2-10H,11-12H2,1H3,(H,22,25)/b20-10+