N-butyl-2-[[5-(3-nitrophenyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-butyl-2-[[5-(3-nitrophenyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-benzyl-5-(3-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-butyl-acetamide CAS Name: N-butyl-2-[[5-(3-nitrophenyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: 2-[[4-benzyl-5-(3-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-butylacetamide Traditional Name: 2-[[4-benzyl-5-(3-nitrophenyl)-1,2,4-triazol-3-yl]thio]-N-butyl-acetamide Formula: C21H23N5O3S MolecularWeight: 425.50402

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CSC1=NN=C(N1CC2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCNC(=O)CSC1=NN=C(N1CC2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H23N5O3S/c1-2-3-12-22-19(27)15-30-21-24-23-20(17-10-7-11-18(13-17)26(28)29)25(21)14-16-8-5-4-6-9-16/h4-11,13H,2-3,12,14-15H2,1H3,(H,22,27)