3-[(2-methylphenyl)methylsulfanyl]-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-4-amine

Systemtic Name: 3-[(2-methylphenyl)methylsulfanyl]-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-4-amine Openeye Name: 3-(o-tolylmethylsulfanyl)-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-4-amine CAS Name: 3-[(2-methylphenyl)methylthio]-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-4-amine IUPAC Name: 3-[(2-methylphenyl)methylsulfanyl]-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-4-amine Traditional Name: [3-[(2-methylbenzyl)thio]-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-4-yl]amine Formula: C19H22N4O3S MolecularWeight: 386.46798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSC2=NN=C(N2N)C3=CC(=C(C(=C3)OC)OC)OC

Isomeric SMILES

CC1=CC=CC=C1CSC2=NN=C(N2N)C3=CC(=C(C(=C3)OC)OC)OC

InChI

InChI=1S/C19H22N4O3S/c1-12-7-5-6-8-13(12)11-27-19-22-21-18(23(19)20)14-9-15(24-2)17(26-4)16(10-14)25-3/h5-10H,11,20H2,1-4H3