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

Systemtic Name: 2-[3-[[(4-chlorophenyl)amino]methyl]-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]-1-(4-cyclohexylphenyl)ethanone Openeye Name: 2-[3-[(4-chloroanilino)methyl]-4-phenyl-5-thioxo-1,2,4-triazol-1-yl]-1-(4-cyclohexylphenyl)ethanone CAS Name: 2-[3-[(4-chloroanilino)methyl]-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]-1-(4-cyclohexylphenyl)ethanone IUPAC Name: 2-[3-[(4-chloroanilino)methyl]-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]-1-(4-cyclohexylphenyl)ethanone Traditional Name: 2-[3-[(4-chloroanilino)methyl]-4-phenyl-5-thioxo-1,2,4-triazol-1-yl]-1-(4-cyclohexylphenyl)ethanone Formula: C29H29ClN4OS MolecularWeight: 517.08476

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CC=C(C=C2)C(=O)CN3C(=S)N(C(=N3)CNC4=CC=C(C=C4)Cl)C5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)C2=CC=C(C=C2)C(=O)CN3C(=S)N(C(=N3)CNC4=CC=C(C=C4)Cl)C5=CC=CC=C5

InChI

InChI=1S/C29H29ClN4OS/c30-24-15-17-25(18-16-24)31-19-28-32-33(29(36)34(28)26-9-5-2-6-10-26)20-27(35)23-13-11-22(12-14-23)21-7-3-1-4-8-21/h2,5-6,9-18,21,31H,1,3-4,7-8,19-20H2