4-(3-chloranyl-4-methyl-phenyl)-3-phenethyl-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-(3-chloranyl-4-methyl-phenyl)-3-phenethyl-1H-1,2,4-triazole-5-thione Openeye Name: 4-(3-chloro-4-methyl-phenyl)-3-phenethyl-1H-1,2,4-triazole-5-thione CAS Name: 4-(3-chloro-4-methylphenyl)-3-phenethyl-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(3-chloro-4-methylphenyl)-3-phenethyl-1H-1,2,4-triazole-5-thione Traditional Name: 4-(3-chloro-4-methyl-phenyl)-3-phenethyl-1H-1,2,4-triazole-5-thione Formula: C17H16ClN3S MolecularWeight: 329.84704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=NNC2=S)CCC3=CC=CC=C3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=NNC2=S)CCC3=CC=CC=C3)Cl

InChI

InChI=1S/C17H16ClN3S/c1-12-7-9-14(11-15(12)18)21-16(19-20-17(21)22)10-8-13-5-3-2-4-6-13/h2-7,9,11H,8,10H2,1H3,(H,20,22)