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

Systemtic Name: 2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]cycloheptan-1-one Openeye Name: 2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]cycloheptanone CAS Name: 2-[(4-phenyl-1,2,4-triazol-3-yl)thio]-1-cycloheptanone IUPAC Name: 2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]cycloheptan-1-one Traditional Name: 2-[(4-phenyl-1,2,4-triazol-3-yl)thio]cycloheptanone Formula: C15H17N3OS MolecularWeight: 287.37998

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(=O)CC1)SC2=NN=CN2C3=CC=CC=C3

Isomeric SMILES

C1CCC(C(=O)CC1)SC2=NN=CN2C3=CC=CC=C3

InChI

InChI=1S/C15H17N3OS/c19-13-9-5-2-6-10-14(13)20-15-17-16-11-18(15)12-7-3-1-4-8-12/h1,3-4,7-8,11,14H,2,5-6,9-10H2