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

Systemtic Name: 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-N-(4-pyrrolidin-1-ylcarbonylphenyl)benzamide Openeye Name: 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide CAS Name: 4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitro-N-[4-[oxo(1-pyrrolidinyl)methyl]phenyl]benzamide IUPAC Name: 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide Traditional Name: 4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitro-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide Formula: C21H20N6O4S MolecularWeight: 452.4863

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SC2=C(C=C(C=C2)C(=O)NC3=CC=C(C=C3)C(=O)N4CCCC4)[N+](=O)[O-]

Isomeric SMILES

CN1C=NN=C1SC2=C(C=C(C=C2)C(=O)NC3=CC=C(C=C3)C(=O)N4CCCC4)[N+](=O)[O-]

InChI

InChI=1S/C21H20N6O4S/c1-25-13-22-24-21(25)32-18-9-6-15(12-17(18)27(30)31)19(28)23-16-7-4-14(5-8-16)20(29)26-10-2-3-11-26/h4-9,12-13H,2-3,10-11H2,1H3,(H,23,28)