4-methyl-5-(3-methylphenyl)-2-[[4-(quinolin-8-ylmethyl)piperazin-1-yl]methyl]-1,2,4-triazole-3-thione

Systemtic Name: 4-methyl-5-(3-methylphenyl)-2-[[4-(quinolin-8-ylmethyl)piperazin-1-yl]methyl]-1,2,4-triazole-3-thione Openeye Name: 4-methyl-5-(m-tolyl)-2-[[4-(8-quinolylmethyl)piperazin-1-yl]methyl]-1,2,4-triazole-3-thione CAS Name: 4-methyl-5-(3-methylphenyl)-2-[[4-(8-quinolinylmethyl)-1-piperazinyl]methyl]-1,2,4-triazole-3-thione IUPAC Name: 4-methyl-5-(3-methylphenyl)-2-[[4-(quinolin-8-ylmethyl)piperazin-1-yl]methyl]-1,2,4-triazole-3-thione Traditional Name: 4-methyl-5-(m-tolyl)-2-[[4-(8-quinolylmethyl)piperazino]methyl]-1,2,4-triazole-3-thione Formula: C25H28N6S MolecularWeight: 444.59502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NN(C(=S)N2C)CN3CCN(CC3)CC4=CC=CC5=C4N=CC=C5

Isomeric SMILES

CC1=CC=CC(=C1)C2=NN(C(=S)N2C)CN3CCN(CC3)CC4=CC=CC5=C4N=CC=C5

InChI

InChI=1S/C25H28N6S/c1-19-6-3-8-21(16-19)24-27-31(25(32)28(24)2)18-30-14-12-29(13-15-30)17-22-9-4-7-20-10-5-11-26-23(20)22/h3-11,16H,12-15,17-18H2,1-2H3