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

Systemtic Name: 3-(5-azanyl-1-phenyl-pyrazol-4-yl)-5-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazol-4-amine Openeye Name: 3-(5-amino-1-phenyl-pyrazol-4-yl)-5-(m-tolylmethylsulfanyl)-1,2,4-triazol-4-amine CAS Name: 3-(5-amino-1-phenyl-4-pyrazolyl)-5-[(3-methylphenyl)methylthio]-1,2,4-triazol-4-amine IUPAC Name: 3-(5-amino-1-phenylpyrazol-4-yl)-5-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazol-4-amine Traditional Name: [4-[4-amino-5-[(3-methylbenzyl)thio]-1,2,4-triazol-3-yl]-2-phenyl-pyrazol-3-yl]amine Formula: C19H19N7S MolecularWeight: 377.46606

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N7S/c1-13-6-5-7-14(10-13)12-27-19-24-23-18(25(19)21)16-11-22-26(17(16)20)15-8-3-2-4-9-15/h2-11H,12,20-21H2,1H3