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

Systemtic Name: 4-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-propyl-butanamide Openeye Name: 4-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-propyl-butanamide CAS Name: 4-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-N-propylbutanamide IUPAC Name: 4-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-propylbutanamide Traditional Name: 4-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-N-propyl-butyramide Formula: C21H23N5O3S MolecularWeight: 425.50402

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CCCSC1=NN=C(N1C2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCNC(=O)CCCSC1=NN=C(N1C2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

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