N-[5-chloranyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-3-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[5-chloranyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-3-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[5-chloro-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-3-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[5-chloro-2-[(4-methyl-1,2,4-triazol-3-yl)thio]phenyl]-3-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[5-chloro-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[5-chloro-2-[(4-methyl-1,2,4-triazol-3-yl)thio]phenyl]-3-pyrrolidinosulfonyl-benzamide Formula: C20H20ClN5O3S2 MolecularWeight: 477.9875

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SC2=C(C=C(C=C2)Cl)NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CN1C=NN=C1SC2=C(C=C(C=C2)Cl)NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C20H20ClN5O3S2/c1-25-13-22-24-20(25)30-18-8-7-15(21)12-17(18)23-19(27)14-5-4-6-16(11-14)31(28,29)26-9-2-3-10-26/h4-8,11-13H,2-3,9-10H2,1H3,(H,23,27)