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

Systemtic Name: N-cyclohexyl-4-[[5-(4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]butanamide Openeye Name: N-cyclohexyl-4-[[4-phenyl-5-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]butanamide CAS Name: N-cyclohexyl-4-[[5-(4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]butanamide IUPAC Name: N-cyclohexyl-4-[[5-(4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]butanamide Traditional Name: N-cyclohexyl-4-[[4-phenyl-5-(p-tolyl)-1,2,4-triazol-3-yl]thio]butyramide Formula: C25H30N4OS MolecularWeight: 434.5969

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCCCC(=O)NC4CCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCCCC(=O)NC4CCCCC4

InChI

InChI=1S/C25H30N4OS/c1-19-14-16-20(17-15-19)24-27-28-25(29(24)22-11-6-3-7-12-22)31-18-8-13-23(30)26-21-9-4-2-5-10-21/h3,6-7,11-12,14-17,21H,2,4-5,8-10,13,18H2,1H3,(H,26,30)