5,5-dimethyl-3-[(5-phenylazanyl-1,3,4-thiadiazol-2-yl)methylamino]cyclohex-2-en-1-one

Systemtic Name: 5,5-dimethyl-3-[(5-phenylazanyl-1,3,4-thiadiazol-2-yl)methylamino]cyclohex-2-en-1-one Openeye Name: 3-[(5-anilino-1,3,4-thiadiazol-2-yl)methylamino]-5,5-dimethyl-cyclohex-2-en-1-one CAS Name: 3-[(5-anilino-1,3,4-thiadiazol-2-yl)methylamino]-5,5-dimethyl-1-cyclohex-2-enone IUPAC Name: 3-[(5-anilino-1,3,4-thiadiazol-2-yl)methylamino]-5,5-dimethylcyclohex-2-en-1-one Traditional Name: 3-[(5-anilino-1,3,4-thiadiazol-2-yl)methylamino]-5,5-dimethyl-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=NN=C(S2)NC3=CC=CC=C3)C

Isomeric SMILES

CC1(CC(=CC(=O)C1)NCC2=NN=C(S2)NC3=CC=CC=C3)C

InChI

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