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

Systemtic Name: 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(3-methylpiperazin-1-yl)ethanone Openeye Name: 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(3-methylpiperazin-1-yl)ethanone CAS Name: 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]-1-(3-methyl-1-piperazinyl)ethanone IUPAC Name: 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(3-methylpiperazin-1-yl)ethanone Traditional Name: 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]-1-(3-methylpiperazino)ethanone Formula: C21H23N5OS MolecularWeight: 393.50522

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1CN(CCN1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C21H23N5OS/c1-16-14-25(13-12-22-16)19(27)15-28-21-24-23-20(17-8-4-2-5-9-17)26(21)18-10-6-3-7-11-18/h2-11,16,22H,12-15H2,1H3