5,5-dimethyl-3-[(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methylamino]cyclohex-2-en-1-one

Systemtic Name: 5,5-dimethyl-3-[(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methylamino]cyclohex-2-en-1-one Openeye Name: 5,5-dimethyl-3-[(4-phenyl-5-thioxo-1H-1,2,4-triazol-3-yl)methylamino]cyclohex-2-en-1-one CAS Name: 5,5-dimethyl-3-[(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methylamino]-1-cyclohex-2-enone IUPAC Name: 5,5-dimethyl-3-[(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methylamino]cyclohex-2-en-1-one Traditional Name: 5,5-dimethyl-3-[(4-phenyl-5-thioxo-1H-1,2,4-triazol-3-yl)methylamino]cyclohex-2-en-1-one Formula: C17H20N4OS MolecularWeight: 328.4319

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=CC(=O)C1)NCC2=NNC(=S)N2C3=CC=CC=C3)C

Isomeric SMILES

CC1(CC(=CC(=O)C1)NCC2=NNC(=S)N2C3=CC=CC=C3)C

InChI

InChI=1S/C17H20N4OS/c1-17(2)9-12(8-14(22)10-17)18-11-15-19-20-16(23)21(15)13-6-4-3-5-7-13/h3-8,18H,9-11H2,1-2H3,(H,20,23)