3-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-N-(1,3-benzodioxol-5-ylmethyl)benzamide

Systemtic Name: 3-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-N-(1,3-benzodioxol-5-ylmethyl)benzamide Openeye Name: 3-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-N-(1,3-benzodioxol-5-ylmethyl)benzamide CAS Name: 3-[[(5-amino-1H-1,2,4-triazol-3-yl)thio]methyl]-N-(1,3-benzodioxol-5-ylmethyl)benzamide IUPAC Name: 3-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-N-(1,3-benzodioxol-5-ylmethyl)benzamide Traditional Name: 3-[[(5-amino-1H-1,2,4-triazol-3-yl)thio]methyl]-N-piperonyl-benzamide Formula: C18H17N5O3S MolecularWeight: 383.42428

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=CC(=CC=C3)CSC4=NNC(=N4)N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=CC(=CC=C3)CSC4=NNC(=N4)N

InChI

InChI=1S/C18H17N5O3S/c19-17-21-18(23-22-17)27-9-12-2-1-3-13(6-12)16(24)20-8-11-4-5-14-15(7-11)26-10-25-14/h1-7H,8-10H2,(H,20,24)(H3,19,21,22,23)