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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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