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

Systemtic Name: 2-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]cyclohexan-1-one Openeye Name: 2-[[4-(o-tolyl)-1,2,4-triazol-3-yl]sulfanyl]cyclohexanone CAS Name: 2-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]thio]-1-cyclohexanone IUPAC Name: 2-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]cyclohexan-1-one Traditional Name: 2-[[4-(o-tolyl)-1,2,4-triazol-3-yl]thio]cyclohexanone Formula: C15H17N3OS MolecularWeight: 287.37998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C=NN=C2SC3CCCCC3=O

Isomeric SMILES

CC1=CC=CC=C1N2C=NN=C2SC3CCCCC3=O

InChI

InChI=1S/C15H17N3OS/c1-11-6-2-3-7-12(11)18-10-16-17-15(18)20-14-9-5-4-8-13(14)19/h2-3,6-7,10,14H,4-5,8-9H2,1H3