N-(2-cyclopentylsulfanylphenyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide

Systemtic Name: N-(2-cyclopentylsulfanylphenyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide Openeye Name: N-(2-cyclopentylsulfanylphenyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide CAS Name: N-[2-(cyclopentylthio)phenyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide IUPAC Name: N-(2-cyclopentylsulfanylphenyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide Traditional Name: N-[2-(cyclopentylthio)phenyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide Formula: C20H19N5O3S MolecularWeight: 409.46156

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)SC2=CC=CC=C2NC(=O)C3=CC(=C(C=C3)N4C=NC=N4)[N+](=O)[O-]

Isomeric SMILES

C1CCC(C1)SC2=CC=CC=C2NC(=O)C3=CC(=C(C=C3)N4C=NC=N4)[N+](=O)[O-]

InChI

InChI=1S/C20H19N5O3S/c26-20(23-16-7-3-4-8-19(16)29-15-5-1-2-6-15)14-9-10-17(18(11-14)25(27)28)24-13-21-12-22-24/h3-4,7-13,15H,1-2,5-6H2,(H,23,26)