4-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-3-nitro-N-(3-pyrrolidin-1-ylcarbonylphenyl)benzamide

Systemtic Name: 4-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-3-nitro-N-(3-pyrrolidin-1-ylcarbonylphenyl)benzamide Openeye Name: 4-(1-methyltetrazol-5-yl)sulfanyl-3-nitro-N-[3-(pyrrolidine-1-carbonyl)phenyl]benzamide CAS Name: 4-[(1-methyl-5-tetrazolyl)thio]-3-nitro-N-[3-[oxo(1-pyrrolidinyl)methyl]phenyl]benzamide IUPAC Name: 4-(1-methyltetrazol-5-yl)sulfanyl-3-nitro-N-[3-(pyrrolidine-1-carbonyl)phenyl]benzamide Traditional Name: 4-[(1-methyltetrazol-5-yl)thio]-3-nitro-N-[3-(pyrrolidine-1-carbonyl)phenyl]benzamide Formula: C20H19N7O4S MolecularWeight: 453.47436

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)SC2=C(C=C(C=C2)C(=O)NC3=CC=CC(=C3)C(=O)N4CCCC4)[N+](=O)[O-]

Isomeric SMILES

CN1C(=NN=N1)SC2=C(C=C(C=C2)C(=O)NC3=CC=CC(=C3)C(=O)N4CCCC4)[N+](=O)[O-]

InChI

InChI=1S/C20H19N7O4S/c1-25-20(22-23-24-25)32-17-8-7-13(12-16(17)27(30)31)18(28)21-15-6-4-5-14(11-15)19(29)26-9-2-3-10-26/h4-8,11-12H,2-3,9-10H2,1H3,(H,21,28)