2-(4-nitrophenyl)sulfanyl-N-[1-(phenylmethyl)-1,2,4-triazol-3-yl]ethanamide

Systemtic Name: 2-(4-nitrophenyl)sulfanyl-N-[1-(phenylmethyl)-1,2,4-triazol-3-yl]ethanamide Openeye Name: N-(1-benzyl-1,2,4-triazol-3-yl)-2-(4-nitrophenyl)sulfanyl-acetamide CAS Name: 2-[(4-nitrophenyl)thio]-N-[1-(phenylmethyl)-1,2,4-triazol-3-yl]acetamide IUPAC Name: N-(1-benzyl-1,2,4-triazol-3-yl)-2-(4-nitrophenyl)sulfanylacetamide Traditional Name: N-(1-benzyl-1,2,4-triazol-3-yl)-2-[(4-nitrophenyl)thio]acetamide Formula: C17H15N5O3S MolecularWeight: 369.3977

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=NC(=N2)NC(=O)CSC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN2C=NC(=N2)NC(=O)CSC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H15N5O3S/c23-16(11-26-15-8-6-14(7-9-15)22(24)25)19-17-18-12-21(20-17)10-13-4-2-1-3-5-13/h1-9,12H,10-11H2,(H,19,20,23)