1-(4-methylpiperidin-1-yl)-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one

Systemtic Name: 1-(4-methylpiperidin-1-yl)-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Openeye Name: 2-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methyl-1-piperidyl)propan-1-one CAS Name: 1-(4-methyl-1-piperidinyl)-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]-1-propanone IUPAC Name: 1-(4-methylpiperidin-1-yl)-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Traditional Name: 2-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)thio]-1-(4-methylpiperidino)propan-1-one Formula: C20H26N4OS MolecularWeight: 370.51164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)C(C)SC2=NN=C(N2CC=C)C3=CC=CC=C3

Isomeric SMILES

CC1CCN(CC1)C(=O)C(C)SC2=NN=C(N2CC=C)C3=CC=CC=C3

InChI

InChI=1S/C20H26N4OS/c1-4-12-24-18(17-8-6-5-7-9-17)21-22-20(24)26-16(3)19(25)23-13-10-15(2)11-14-23/h4-9,15-16H,1,10-14H2,2-3H3