N-[1-(3-nitrophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethyl]benzamide

Systemtic Name: N-[1-(3-nitrophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethyl]benzamide Openeye Name: N-[1-(3-nitrophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethyl]benzamide CAS Name: N-[1-(3-nitrophenyl)-2-(1H-1,2,4-triazol-5-ylthio)ethyl]benzamide IUPAC Name: N-[1-(3-nitrophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethyl]benzamide Traditional Name: N-[1-(3-nitrophenyl)-2-(1H-1,2,4-triazol-5-ylthio)ethyl]benzamide Formula: C17H15N5O3S MolecularWeight: 369.3977

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC(CSC2=NC=NN2)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NC(CSC2=NC=NN2)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

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