1-[4-(2-methoxyphenyl)carbonyl-3-methyl-piperazin-1-yl]-5-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]pentan-1-one

Systemtic Name: 1-[4-(2-methoxyphenyl)carbonyl-3-methyl-piperazin-1-yl]-5-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]pentan-1-one Openeye Name: 1-[4-(2-methoxybenzoyl)-3-methyl-piperazin-1-yl]-5-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]pentan-1-one CAS Name: 1-[4-[(2-methoxyphenyl)-oxomethyl]-3-methyl-1-piperazinyl]-5-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)thio]-1-pentanone IUPAC Name: 1-[4-(2-methoxybenzoyl)-3-methylpiperazin-1-yl]-5-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]pentan-1-one Traditional Name: 1-(3-methyl-4-o-anisoyl-piperazino)-5-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)thio]pentan-1-one Formula: C27H33N5O3S MolecularWeight: 507.64762

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C2=CC=CC=C2OC)C(=O)CCCCSC3=NN=C(N3C4=CC=CC=C4)C

Isomeric SMILES

CC1CN(CCN1C(=O)C2=CC=CC=C2OC)C(=O)CCCCSC3=NN=C(N3C4=CC=CC=C4)C

InChI

InChI=1S/C27H33N5O3S/c1-20-19-30(16-17-31(20)26(34)23-13-7-8-14-24(23)35-3)25(33)15-9-10-18-36-27-29-28-21(2)32(27)22-11-5-4-6-12-22/h4-8,11-14,20H,9-10,15-19H2,1-3H3