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

Systemtic Name: N-(4-methoxyphenyl)-3-[(2-methylphenyl)methylsulfanyl]-1H-1,2,4-triazol-5-amine Openeye Name: N-(4-methoxyphenyl)-3-(o-tolylmethylsulfanyl)-1H-1,2,4-triazol-5-amine CAS Name: N-(4-methoxyphenyl)-3-[(2-methylphenyl)methylthio]-1H-1,2,4-triazol-5-amine IUPAC Name: N-(4-methoxyphenyl)-3-[(2-methylphenyl)methylsulfanyl]-1H-1,2,4-triazol-5-amine Traditional Name: (4-methoxyphenyl)-[3-[(2-methylbenzyl)thio]-1H-1,2,4-triazol-5-yl]amine Formula: C17H18N4OS MolecularWeight: 326.41602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSC2=NNC(=N2)NC3=CC=C(C=C3)OC

Isomeric SMILES

CC1=CC=CC=C1CSC2=NNC(=N2)NC3=CC=C(C=C3)OC

InChI

InChI=1S/C17H18N4OS/c1-12-5-3-4-6-13(12)11-23-17-19-16(20-21-17)18-14-7-9-15(22-2)10-8-14/h3-10H,11H2,1-2H3,(H2,18,19,20,21)