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

Systemtic Name: 4-(3-methylphenyl)-5-(phenylmethyl)-2-(pyrrolidin-1-ylmethyl)-1,2,4-triazole-3-thione Openeye Name: 5-benzyl-4-(m-tolyl)-2-(pyrrolidin-1-ylmethyl)-1,2,4-triazole-3-thione CAS Name: 4-(3-methylphenyl)-5-(phenylmethyl)-2-(1-pyrrolidinylmethyl)-1,2,4-triazole-3-thione IUPAC Name: 5-benzyl-4-(3-methylphenyl)-2-(pyrrolidin-1-ylmethyl)-1,2,4-triazole-3-thione Traditional Name: 5-benzyl-4-(m-tolyl)-2-(pyrrolidinomethyl)-1,2,4-triazole-3-thione Formula: C21H24N4S MolecularWeight: 364.50706

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4S/c1-17-8-7-11-19(14-17)25-20(15-18-9-3-2-4-10-18)22-24(21(25)26)16-23-12-5-6-13-23/h2-4,7-11,14H,5-6,12-13,15-16H2,1H3