N-(3-nitrophenyl)-2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]butanamide

Systemtic Name: N-(3-nitrophenyl)-2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]butanamide Openeye Name: N-(3-nitrophenyl)-2-(1-phenyltetrazol-5-yl)sulfanyl-butanamide CAS Name: N-(3-nitrophenyl)-2-[(1-phenyl-5-tetrazolyl)thio]butanamide IUPAC Name: N-(3-nitrophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylbutanamide Traditional Name: N-(3-nitrophenyl)-2-[(1-phenyltetrazol-5-yl)thio]butyramide Formula: C17H16N6O3S MolecularWeight: 384.41234

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])SC2=NN=NN2C3=CC=CC=C3

Isomeric SMILES

CCC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])SC2=NN=NN2C3=CC=CC=C3

InChI

InChI=1S/C17H16N6O3S/c1-2-15(16(24)18-12-7-6-10-14(11-12)23(25)26)27-17-19-20-21-22(17)13-8-4-3-5-9-13/h3-11,15H,2H2,1H3,(H,18,24)