[(3S)-3-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(2-phenylphenyl)methanone

Systemtic Name: [(3S)-3-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(2-phenylphenyl)methanone Openeye Name: [(3S)-3-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)-1-piperidyl]-(2-phenylphenyl)methanone CAS Name: [(3S)-3-[5-(ethylthio)-4-methyl-1,2,4-triazol-3-yl]-1-piperidinyl]-(2-phenylphenyl)methanone IUPAC Name: [(3S)-3-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(2-phenylphenyl)methanone Traditional Name: [(3S)-3-[5-(ethylthio)-4-methyl-1,2,4-triazol-3-yl]piperidino]-(2-phenylphenyl)methanone Formula: C23H26N4OS MolecularWeight: 406.54374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN=C(N1C)C2CCCN(C2)C(=O)C3=CC=CC=C3C4=CC=CC=C4

Isomeric SMILES

CCSC1=NN=C(N1C)[C@H]2CCCN(C2)C(=O)C3=CC=CC=C3C4=CC=CC=C4

InChI

InChI=1S/C23H26N4OS/c1-3-29-23-25-24-21(26(23)2)18-12-9-15-27(16-18)22(28)20-14-8-7-13-19(20)17-10-5-4-6-11-17/h4-8,10-11,13-14,18H,3,9,12,15-16H2,1-2H3/t18-/m0/s1