3-[(4-methylphenyl)methylsulfanyl]-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-triazol-4-amine

Systemtic Name: 3-[(4-methylphenyl)methylsulfanyl]-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-triazol-4-amine Openeye Name: 3-(3-phenyl-1H-pyrazol-5-yl)-5-(p-tolylmethylsulfanyl)-1,2,4-triazol-4-amine CAS Name: 3-[(4-methylphenyl)methylthio]-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-triazol-4-amine IUPAC Name: 3-[(4-methylphenyl)methylsulfanyl]-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-triazol-4-amine Traditional Name: [3-[(4-methylbenzyl)thio]-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-triazol-4-yl]amine Formula: C19H18N6S MolecularWeight: 362.45142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NN=C(N2N)C3=CC(=NN3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NN=C(N2N)C3=CC(=NN3)C4=CC=CC=C4

InChI

InChI=1S/C19H18N6S/c1-13-7-9-14(10-8-13)12-26-19-24-23-18(25(19)20)17-11-16(21-22-17)15-5-3-2-4-6-15/h2-11H,12,20H2,1H3,(H,21,22)