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

Systemtic Name: 2-(4-chlorophenyl)-1-[5-ethylsulfanyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]ethanamine Openeye Name: 1-(4-benzyl-5-ethylsulfanyl-1,2,4-triazol-3-yl)-2-(4-chlorophenyl)ethanamine CAS Name: 2-(4-chlorophenyl)-1-[5-(ethylthio)-4-(phenylmethyl)-1,2,4-triazol-3-yl]ethanamine IUPAC Name: 1-(4-benzyl-5-ethylsulfanyl-1,2,4-triazol-3-yl)-2-(4-chlorophenyl)ethanamine Traditional Name: [1-[4-benzyl-5-(ethylthio)-1,2,4-triazol-3-yl]-2-(4-chlorophenyl)ethyl]amine Formula: C19H21ClN4S MolecularWeight: 372.91484

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN=C(N1CC2=CC=CC=C2)C(CC3=CC=C(C=C3)Cl)N

Isomeric SMILES

CCSC1=NN=C(N1CC2=CC=CC=C2)C(CC3=CC=C(C=C3)Cl)N

InChI

InChI=1S/C19H21ClN4S/c1-2-25-19-23-22-18(24(19)13-15-6-4-3-5-7-15)17(21)12-14-8-10-16(20)11-9-14/h3-11,17H,2,12-13,21H2,1H3