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

Systemtic Name: 3-[(2,5-dimethylphenyl)methylsulfanyl]-5-(3-methylphenyl)-1,2,4-triazol-4-amine Openeye Name: 3-[(2,5-dimethylphenyl)methylsulfanyl]-5-(m-tolyl)-1,2,4-triazol-4-amine CAS Name: 3-[(2,5-dimethylphenyl)methylthio]-5-(3-methylphenyl)-1,2,4-triazol-4-amine IUPAC Name: 3-[(2,5-dimethylphenyl)methylsulfanyl]-5-(3-methylphenyl)-1,2,4-triazol-4-amine Traditional Name: [3-[(2,5-dimethylbenzyl)thio]-5-(m-tolyl)-1,2,4-triazol-4-yl]amine Formula: C18H20N4S MolecularWeight: 324.4432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N4S/c1-12-5-4-6-15(9-12)17-20-21-18(22(17)19)23-11-16-10-13(2)7-8-14(16)3/h4-10H,11,19H2,1-3H3