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

Systemtic Name: 3-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-5-[(4-methylphenyl)methylsulfanyl]-1,2,4-triazol-4-amine Openeye Name: 3-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-5-(p-tolylmethylsulfanyl)-1,2,4-triazol-4-amine CAS Name: 3-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-5-[(4-methylphenyl)methylthio]-1,2,4-triazol-4-amine IUPAC Name: 3-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-5-[(4-methylphenyl)methylsulfanyl]-1,2,4-triazol-4-amine Traditional Name: [3-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-5-[(4-methylbenzyl)thio]-1,2,4-triazol-4-yl]amine Formula: C20H20N6OS MolecularWeight: 392.4774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N6OS/c1-13-3-5-14(6-4-13)12-28-20-25-24-19(26(20)21)18-11-17(22-23-18)15-7-9-16(27-2)10-8-15/h3-11H,12,21H2,1-2H3,(H,22,23)