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

Systemtic Name: 4-[(3,4-dichlorophenyl)methyl]-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-amine Openeye Name: 5-benzylsulfanyl-4-[(3,4-dichlorophenyl)methyl]-1,2,4-triazol-3-amine CAS Name: 4-[(3,4-dichlorophenyl)methyl]-5-(phenylmethylthio)-1,2,4-triazol-3-amine IUPAC Name: 5-benzylsulfanyl-4-[(3,4-dichlorophenyl)methyl]-1,2,4-triazol-3-amine Traditional Name: [5-(benzylthio)-4-(3,4-dichlorobenzyl)-1,2,4-triazol-3-yl]amine Formula: C16H14Cl2N4S MolecularWeight: 365.28016

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14Cl2N4S/c17-13-7-6-12(8-14(13)18)9-22-15(19)20-21-16(22)23-10-11-4-2-1-3-5-11/h1-8H,9-10H2,(H2,19,20)