2-(4-chlorophenyl)-1-[5-methylsulfanyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]ethanamine

Systemtic Name: 2-(4-chlorophenyl)-1-[5-methylsulfanyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]ethanamine Openeye Name: 1-(4-benzyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-2-(4-chlorophenyl)ethanamine CAS Name: 2-(4-chlorophenyl)-1-[5-(methylthio)-4-(phenylmethyl)-1,2,4-triazol-3-yl]ethanamine IUPAC Name: 1-(4-benzyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-2-(4-chlorophenyl)ethanamine Traditional Name: [1-[4-benzyl-5-(methylthio)-1,2,4-triazol-3-yl]-2-(4-chlorophenyl)ethyl]amine Formula: C18H19ClN4S MolecularWeight: 358.88826

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NN=C(N1CC2=CC=CC=C2)C(CC3=CC=C(C=C3)Cl)N

Isomeric SMILES

CSC1=NN=C(N1CC2=CC=CC=C2)C(CC3=CC=C(C=C3)Cl)N

InChI

InChI=1S/C18H19ClN4S/c1-24-18-22-21-17(23(18)12-14-5-3-2-4-6-14)16(20)11-13-7-9-15(19)10-8-13/h2-10,16H,11-12,20H2,1H3