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

Systemtic Name: 2-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]cycloheptan-1-one Openeye Name: 2-[[4-(o-tolyl)-1,2,4-triazol-3-yl]sulfanyl]cycloheptanone CAS Name: 2-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]thio]-1-cycloheptanone IUPAC Name: 2-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]cycloheptan-1-one Traditional Name: 2-[[4-(o-tolyl)-1,2,4-triazol-3-yl]thio]cycloheptanone Formula: C16H19N3OS MolecularWeight: 301.40656

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C=NN=C2SC3CCCCCC3=O

Isomeric SMILES

CC1=CC=CC=C1N2C=NN=C2SC3CCCCCC3=O

InChI

InChI=1S/C16H19N3OS/c1-12-7-5-6-8-13(12)19-11-17-18-16(19)21-15-10-4-2-3-9-14(15)20/h5-8,11,15H,2-4,9-10H2,1H3