4-[(4-chlorophenyl)methyl]-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-amine

Systemtic Name: 4-[(4-chlorophenyl)methyl]-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-amine Openeye Name: 5-benzylsulfanyl-4-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-amine CAS Name: 4-[(4-chlorophenyl)methyl]-5-(phenylmethylthio)-1,2,4-triazol-3-amine IUPAC Name: 5-benzylsulfanyl-4-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-amine Traditional Name: [5-(benzylthio)-4-(4-chlorobenzyl)-1,2,4-triazol-3-yl]amine Formula: C16H15ClN4S MolecularWeight: 330.8351

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NN=C(N2CC3=CC=C(C=C3)Cl)N

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NN=C(N2CC3=CC=C(C=C3)Cl)N

InChI

InChI=1S/C16H15ClN4S/c17-14-8-6-12(7-9-14)10-21-15(18)19-20-16(21)22-11-13-4-2-1-3-5-13/h1-9H,10-11H2,(H2,18,19)