2-[3-[[(3-chloranyl-2-methyl-phenyl)amino]methyl]-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]-1-phenyl-ethanone

Systemtic Name: 2-[3-[[(3-chloranyl-2-methyl-phenyl)amino]methyl]-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]-1-phenyl-ethanone Openeye Name: 2-[3-[(3-chloro-2-methyl-anilino)methyl]-4-phenyl-5-thioxo-1,2,4-triazol-1-yl]-1-phenyl-ethanone CAS Name: 2-[3-[(3-chloro-2-methylanilino)methyl]-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]-1-phenylethanone IUPAC Name: 2-[3-[(3-chloro-2-methylanilino)methyl]-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]-1-phenylethanone Traditional Name: 2-[3-[(3-chloro-2-methyl-anilino)methyl]-4-phenyl-5-thioxo-1,2,4-triazol-1-yl]-1-phenyl-ethanone Formula: C24H21ClN4OS MolecularWeight: 448.96774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NCC2=NN(C(=S)N2C3=CC=CC=C3)CC(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C=CC=C1Cl)NCC2=NN(C(=S)N2C3=CC=CC=C3)CC(=O)C4=CC=CC=C4

InChI

InChI=1S/C24H21ClN4OS/c1-17-20(25)13-8-14-21(17)26-15-23-27-28(16-22(30)18-9-4-2-5-10-18)24(31)29(23)19-11-6-3-7-12-19/h2-14,26H,15-16H2,1H3