2-[[5-(3-methylphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]cyclohexan-1-one

Systemtic Name: 2-[[5-(3-methylphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]cyclohexan-1-one Openeye Name: 2-[[5-(m-tolyl)-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]cyclohexanone CAS Name: 2-[[5-(3-methylphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]thio]-1-cyclohexanone IUPAC Name: 2-[[5-(3-methylphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]cyclohexan-1-one Traditional Name: 2-[[5-(m-tolyl)-4-(p-tolyl)-1,2,4-triazol-3-yl]thio]cyclohexanone Formula: C22H23N3OS MolecularWeight: 377.50252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SC3CCCCC3=O)C4=CC(=CC=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SC3CCCCC3=O)C4=CC(=CC=C4)C

InChI

InChI=1S/C22H23N3OS/c1-15-10-12-18(13-11-15)25-21(17-7-5-6-16(2)14-17)23-24-22(25)27-20-9-4-3-8-19(20)26/h5-7,10-14,20H,3-4,8-9H2,1-2H3