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

Systemtic Name: 3-[(4-aminophenyl)methylsulfanyl]-5-[(2,5-dimethylphenyl)methyl]-1,2,4-triazol-4-amine Openeye Name: 3-[(4-aminophenyl)methylsulfanyl]-5-[(2,5-dimethylphenyl)methyl]-1,2,4-triazol-4-amine CAS Name: 3-[(4-aminophenyl)methylthio]-5-[(2,5-dimethylphenyl)methyl]-1,2,4-triazol-4-amine IUPAC Name: 3-[(4-aminophenyl)methylsulfanyl]-5-[(2,5-dimethylphenyl)methyl]-1,2,4-triazol-4-amine Traditional Name: [3-[(4-aminobenzyl)thio]-5-(2,5-dimethylbenzyl)-1,2,4-triazol-4-yl]amine Formula: C18H21N5S MolecularWeight: 339.45784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CC2=NN=C(N2N)SCC3=CC=C(C=C3)N

Isomeric SMILES

CC1=CC(=C(C=C1)C)CC2=NN=C(N2N)SCC3=CC=C(C=C3)N

InChI

InChI=1S/C18H21N5S/c1-12-3-4-13(2)15(9-12)10-17-21-22-18(23(17)20)24-11-14-5-7-16(19)8-6-14/h3-9H,10-11,19-20H2,1-2H3