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

Systemtic Name: 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide Openeye Name: 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide CAS Name: 4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitro-N-[4-(1-pyrrolidinylsulfonyl)phenyl]benzamide IUPAC Name: 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide Traditional Name: 4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitro-N-(4-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=C(C=C3)S(=O)(=O)N4CCCC4)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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