5-(4-methylphenyl)-4-(2-propan-2-ylphenyl)-2-[(4-thiophen-2-ylsulfonylpiperazin-1-yl)methyl]-1,2,4-triazole-3-thione

Systemtic Name: 5-(4-methylphenyl)-4-(2-propan-2-ylphenyl)-2-[(4-thiophen-2-ylsulfonylpiperazin-1-yl)methyl]-1,2,4-triazole-3-thione Openeye Name: 4-(2-isopropylphenyl)-5-(p-tolyl)-2-[[4-(2-thienylsulfonyl)piperazin-1-yl]methyl]-1,2,4-triazole-3-thione CAS Name: 5-(4-methylphenyl)-4-(2-propan-2-ylphenyl)-2-[(4-thiophen-2-ylsulfonyl-1-piperazinyl)methyl]-1,2,4-triazole-3-thione IUPAC Name: 5-(4-methylphenyl)-4-(2-propan-2-ylphenyl)-2-[(4-thiophen-2-ylsulfonylpiperazin-1-yl)methyl]-1,2,4-triazole-3-thione Traditional Name: 4-o-cumenyl-5-(p-tolyl)-2-[[4-(2-thienylsulfonyl)piperazino]methyl]-1,2,4-triazole-3-thione Formula: C27H31N5O2S3 MolecularWeight: 553.76234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(=S)N2C3=CC=CC=C3C(C)C)CN4CCN(CC4)S(=O)(=O)C5=CC=CS5

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(=S)N2C3=CC=CC=C3C(C)C)CN4CCN(CC4)S(=O)(=O)C5=CC=CS5

InChI

InChI=1S/C27H31N5O2S3/c1-20(2)23-7-4-5-8-24(23)32-26(22-12-10-21(3)11-13-22)28-31(27(32)35)19-29-14-16-30(17-15-29)37(33,34)25-9-6-18-36-25/h4-13,18,20H,14-17,19H2,1-3H3