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

Systemtic Name: N-(3-methylbutyl)-2-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-isopentyl-2-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(3-methylbutyl)-2-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(3-methylbutyl)-2-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-isoamyl-2-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]acetamide Formula: C21H23N5O3S MolecularWeight: 425.50402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)CSC1=NN=C(N1C2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)CCNC(=O)CSC1=NN=C(N1C2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H23N5O3S/c1-15(2)12-13-22-19(27)14-30-21-24-23-20(25(21)17-6-4-3-5-7-17)16-8-10-18(11-9-16)26(28)29/h3-11,15H,12-14H2,1-2H3,(H,22,27)