4-(3-chlorophenyl)-3-[[(4-ethoxyphenyl)amino]methyl]-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-(3-chlorophenyl)-3-[[(4-ethoxyphenyl)amino]methyl]-1H-1,2,4-triazole-5-thione Openeye Name: 4-(3-chlorophenyl)-3-[(4-ethoxyanilino)methyl]-1H-1,2,4-triazole-5-thione CAS Name: 4-(3-chlorophenyl)-3-[(4-ethoxyanilino)methyl]-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(3-chlorophenyl)-3-[(4-ethoxyanilino)methyl]-1H-1,2,4-triazole-5-thione Traditional Name: 4-(3-chlorophenyl)-3-(p-phenetidinomethyl)-1H-1,2,4-triazole-5-thione Formula: C17H17ClN4OS MolecularWeight: 360.86108

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NCC2=NNC(=S)N2C3=CC(=CC=C3)Cl

Isomeric SMILES

CCOC1=CC=C(C=C1)NCC2=NNC(=S)N2C3=CC(=CC=C3)Cl

InChI

InChI=1S/C17H17ClN4OS/c1-2-23-15-8-6-13(7-9-15)19-11-16-20-21-17(24)22(16)14-5-3-4-12(18)10-14/h3-10,19H,2,11H2,1H3,(H,21,24)