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

Systemtic Name: 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzamide Openeye Name: 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzamide CAS Name: 4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitro-N-[3-(1-pyrrolidinylsulfonyl)phenyl]benzamide IUPAC Name: 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzamide Traditional Name: 4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitro-N-(3-pyrrolidinosulfonylphenyl)benzamide Formula: C20H20N6O5S2 MolecularWeight: 488.54

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N6O5S2/c1-24-13-21-23-20(24)32-18-8-7-14(11-17(18)26(28)29)19(27)22-15-5-4-6-16(12-15)33(30,31)25-9-2-3-10-25/h4-8,11-13H,2-3,9-10H2,1H3,(H,22,27)