2-[(1-cyclopropyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-N-(4-methyl-2-nitro-phenyl)-2-phenyl-ethanamide

Systemtic Name: 2-[(1-cyclopropyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-N-(4-methyl-2-nitro-phenyl)-2-phenyl-ethanamide Openeye Name: 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(4-methyl-2-nitro-phenyl)-2-phenyl-acetamide CAS Name: 2-[(1-cyclopropyl-5-tetrazolyl)thio]-N-(4-methyl-2-nitrophenyl)-2-phenylacetamide IUPAC Name: 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(4-methyl-2-nitrophenyl)-2-phenylacetamide Traditional Name: 2-[(1-cyclopropyltetrazol-5-yl)thio]-N-(4-methyl-2-nitro-phenyl)-2-phenyl-acetamide Formula: C19H18N6O3S MolecularWeight: 410.44962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C(C2=CC=CC=C2)SC3=NN=NN3C4CC4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C(C2=CC=CC=C2)SC3=NN=NN3C4CC4)[N+](=O)[O-]

InChI

InChI=1S/C19H18N6O3S/c1-12-7-10-15(16(11-12)25(27)28)20-18(26)17(13-5-3-2-4-6-13)29-19-21-22-23-24(19)14-8-9-14/h2-7,10-11,14,17H,8-9H2,1H3,(H,20,26)