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

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

CN1C(=NN=C1SCC(=O)NN=CC2=CC3=C(C=C2)OCO3)C4=CC=CC=C4

Isomeric SMILES

CN1C(=NN=C1SCC(=O)N/N=C/C2=CC3=C(C=C2)OCO3)C4=CC=CC=C4

InChI

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