4-[[4-(3-chlorophenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-3-nitro-benzamide

Systemtic Name: 4-[[4-(3-chlorophenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-3-nitro-benzamide Openeye Name: 4-[[4-(3-chlorophenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-3-nitro-benzamide CAS Name: 4-[[[4-(3-chlorophenyl)-5-(1-pyrrolidinyl)-1,2,4-triazol-3-yl]thio]methyl]-3-nitrobenzamide IUPAC Name: 4-[[4-(3-chlorophenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-3-nitrobenzamide Traditional Name: 4-[[[4-(3-chlorophenyl)-5-pyrrolidino-1,2,4-triazol-3-yl]thio]methyl]-3-nitro-benzamide Formula: C20H19ClN6O3S MolecularWeight: 458.92126

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NN=C(N2C3=CC(=CC=C3)Cl)SCC4=C(C=C(C=C4)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=NN=C(N2C3=CC(=CC=C3)Cl)SCC4=C(C=C(C=C4)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C20H19ClN6O3S/c21-15-4-3-5-16(11-15)26-19(25-8-1-2-9-25)23-24-20(26)31-12-14-7-6-13(18(22)28)10-17(14)27(29)30/h3-7,10-11H,1-2,8-9,12H2,(H2,22,28)