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

Systemtic Name: 3-(3-chlorophenyl)-5-[(3,4-dimethylphenyl)methylsulfanyl]-1,2,4-triazol-4-amine Openeye Name: 3-(3-chlorophenyl)-5-[(3,4-dimethylphenyl)methylsulfanyl]-1,2,4-triazol-4-amine CAS Name: 3-(3-chlorophenyl)-5-[(3,4-dimethylphenyl)methylthio]-1,2,4-triazol-4-amine IUPAC Name: 3-(3-chlorophenyl)-5-[(3,4-dimethylphenyl)methylsulfanyl]-1,2,4-triazol-4-amine Traditional Name: [3-(3-chlorophenyl)-5-[(3,4-dimethylbenzyl)thio]-1,2,4-triazol-4-yl]amine Formula: C17H17ClN4S MolecularWeight: 344.86168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17ClN4S/c1-11-6-7-13(8-12(11)2)10-23-17-21-20-16(22(17)19)14-4-3-5-15(18)9-14/h3-9H,10,19H2,1-2H3