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

Systemtic Name: 3-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-N-phenethyl-benzamide Openeye Name: 3-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-N-phenethyl-benzamide CAS Name: 3-[[(5-amino-1H-1,2,4-triazol-3-yl)thio]methyl]-N-phenethylbenzamide IUPAC Name: 3-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-N-phenethylbenzamide Traditional Name: 3-[[(5-amino-1H-1,2,4-triazol-3-yl)thio]methyl]-N-phenethyl-benzamide Formula: C18H19N5OS MolecularWeight: 353.44136

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)C2=CC(=CC=C2)CSC3=NNC(=N3)N

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)C2=CC(=CC=C2)CSC3=NNC(=N3)N

InChI

InChI=1S/C18H19N5OS/c19-17-21-18(23-22-17)25-12-14-7-4-8-15(11-14)16(24)20-10-9-13-5-2-1-3-6-13/h1-8,11H,9-10,12H2,(H,20,24)(H3,19,21,22,23)