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

Systemtic Name: N-cyclohexyl-4-[[4-(3-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]butanamide Openeye Name: N-cyclohexyl-4-[[4-(m-tolyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]butanamide CAS Name: N-cyclohexyl-4-[[4-(3-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]butanamide IUPAC Name: N-cyclohexyl-4-[[4-(3-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]butanamide Traditional Name: N-cyclohexyl-4-[[4-(m-tolyl)-5-phenyl-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(=CC=C1)N2C(=NN=C2SCCCC(=O)NC3CCCCC3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=NN=C2SCCCC(=O)NC3CCCCC3)C4=CC=CC=C4

InChI

InChI=1S/C25H30N4OS/c1-19-10-8-15-22(18-19)29-24(20-11-4-2-5-12-20)27-28-25(29)31-17-9-16-23(30)26-21-13-6-3-7-14-21/h2,4-5,8,10-12,15,18,21H,3,6-7,9,13-14,16-17H2,1H3,(H,26,30)