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

Systemtic Name: 3-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-N-(1,3-benzodioxol-5-yl)benzamide Openeye Name: 3-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-N-(1,3-benzodioxol-5-yl)benzamide CAS Name: 3-[[(5-amino-1H-1,2,4-triazol-3-yl)thio]methyl]-N-(1,3-benzodioxol-5-yl)benzamide IUPAC Name: 3-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-N-(1,3-benzodioxol-5-yl)benzamide Traditional Name: 3-[[(5-amino-1H-1,2,4-triazol-3-yl)thio]methyl]-N-(1,3-benzodioxol-5-yl)benzamide Formula: C17H15N5O3S MolecularWeight: 369.3977

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15N5O3S/c18-16-20-17(22-21-16)26-8-10-2-1-3-11(6-10)15(23)19-12-4-5-13-14(7-12)25-9-24-13/h1-7H,8-9H2,(H,19,23)(H3,18,20,21,22)