5-phenyl-3-[[3-(phenylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]amino]cyclohex-2-en-1-one

Systemtic Name: 5-phenyl-3-[[3-(phenylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]amino]cyclohex-2-en-1-one Openeye Name: 3-[(3-benzylsulfanyl-1H-1,2,4-triazol-5-yl)amino]-5-phenyl-cyclohex-2-en-1-one CAS Name: 5-phenyl-3-[[3-(phenylmethylthio)-1H-1,2,4-triazol-5-yl]amino]-1-cyclohex-2-enone IUPAC Name: 3-[(3-benzylsulfanyl-1H-1,2,4-triazol-5-yl)amino]-5-phenylcyclohex-2-en-1-one Traditional Name: 3-[[3-(benzylthio)-1H-1,2,4-triazol-5-yl]amino]-5-phenyl-cyclohex-2-en-1-one Formula: C21H20N4OS MolecularWeight: 376.4747

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CC(=O)C=C1NC2=NC(=NN2)SCC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1C(CC(=O)C=C1NC2=NC(=NN2)SCC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C21H20N4OS/c26-19-12-17(16-9-5-2-6-10-16)11-18(13-19)22-20-23-21(25-24-20)27-14-15-7-3-1-4-8-15/h1-10,13,17H,11-12,14H2,(H2,22,23,24,25)