4-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(3-methylpiperazin-1-yl)butan-1-one

Systemtic Name: 4-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(3-methylpiperazin-1-yl)butan-1-one Openeye Name: 4-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(3-methylpiperazin-1-yl)butan-1-one CAS Name: 4-[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]-1-(3-methyl-1-piperazinyl)-1-butanone IUPAC Name: 4-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(3-methylpiperazin-1-yl)butan-1-one Traditional Name: 4-[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]-1-(3-methylpiperazino)butan-1-one Formula: C23H27N5OS MolecularWeight: 421.55838

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1)C(=O)CCCSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1CN(CCN1)C(=O)CCCSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C23H27N5OS/c1-18-17-27(15-14-24-18)21(29)13-8-16-30-23-26-25-22(19-9-4-2-5-10-19)28(23)20-11-6-3-7-12-20/h2-7,9-12,18,24H,8,13-17H2,1H3