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

Systemtic Name: 3-[[(3-chloranyl-2-methyl-phenyl)amino]methyl]-4-phenyl-1H-1,2,4-triazole-5-thione Openeye Name: 3-[(3-chloro-2-methyl-anilino)methyl]-4-phenyl-1H-1,2,4-triazole-5-thione CAS Name: 3-[(3-chloro-2-methylanilino)methyl]-4-phenyl-1H-1,2,4-triazole-5-thione IUPAC Name: 3-[(3-chloro-2-methylanilino)methyl]-4-phenyl-1H-1,2,4-triazole-5-thione Traditional Name: 3-[(3-chloro-2-methyl-anilino)methyl]-4-phenyl-1H-1,2,4-triazole-5-thione Formula: C16H15ClN4S MolecularWeight: 330.8351

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NCC2=NNC(=S)N2C3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC=C1Cl)NCC2=NNC(=S)N2C3=CC=CC=C3

InChI

InChI=1S/C16H15ClN4S/c1-11-13(17)8-5-9-14(11)18-10-15-19-20-16(22)21(15)12-6-3-2-4-7-12/h2-9,18H,10H2,1H3,(H,20,22)