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

Systemtic Name: 3-[(4-chloranylphenoxy)methyl]-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-amine Openeye Name: 3-benzylsulfanyl-5-[(4-chlorophenoxy)methyl]-1,2,4-triazol-4-amine CAS Name: 3-[(4-chlorophenoxy)methyl]-5-(phenylmethylthio)-1,2,4-triazol-4-amine IUPAC Name: 3-benzylsulfanyl-5-[(4-chlorophenoxy)methyl]-1,2,4-triazol-4-amine Traditional Name: [3-(benzylthio)-5-[(4-chlorophenoxy)methyl]-1,2,4-triazol-4-yl]amine Formula: C16H15ClN4OS MolecularWeight: 346.8345

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NN=C(N2N)COC3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NN=C(N2N)COC3=CC=C(C=C3)Cl

InChI

InChI=1S/C16H15ClN4OS/c17-13-6-8-14(9-7-13)22-10-15-19-20-16(21(15)18)23-11-12-4-2-1-3-5-12/h1-9H,10-11,18H2