4-(2,4-dimethylphenyl)-5-(phenylmethyl)-2-(pyrrolidin-1-ylmethyl)-1,2,4-triazole-3-thione

Systemtic Name: 4-(2,4-dimethylphenyl)-5-(phenylmethyl)-2-(pyrrolidin-1-ylmethyl)-1,2,4-triazole-3-thione Openeye Name: 5-benzyl-4-(2,4-dimethylphenyl)-2-(pyrrolidin-1-ylmethyl)-1,2,4-triazole-3-thione CAS Name: 4-(2,4-dimethylphenyl)-5-(phenylmethyl)-2-(1-pyrrolidinylmethyl)-1,2,4-triazole-3-thione IUPAC Name: 5-benzyl-4-(2,4-dimethylphenyl)-2-(pyrrolidin-1-ylmethyl)-1,2,4-triazole-3-thione Traditional Name: 5-benzyl-4-(2,4-dimethylphenyl)-2-(pyrrolidinomethyl)-1,2,4-triazole-3-thione Formula: C22H26N4S MolecularWeight: 378.53364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=NN(C2=S)CN3CCCC3)CC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=NN(C2=S)CN3CCCC3)CC4=CC=CC=C4)C

InChI

InChI=1S/C22H26N4S/c1-17-10-11-20(18(2)14-17)26-21(15-19-8-4-3-5-9-19)23-25(22(26)27)16-24-12-6-7-13-24/h3-5,8-11,14H,6-7,12-13,15-16H2,1-2H3