4-[5-(5-butylpyridin-2-yl)-3H-1,3,4-thiadiazol-2-ylidene]cyclohexa-2,5-dien-1-one

Systemtic Name: 4-[5-(5-butylpyridin-2-yl)-3H-1,3,4-thiadiazol-2-ylidene]cyclohexa-2,5-dien-1-one Openeye Name: 4-[5-(5-butyl-2-pyridyl)-3H-1,3,4-thiadiazol-2-ylidene]cyclohexa-2,5-dien-1-one CAS Name: 4-[5-(5-butyl-2-pyridinyl)-3H-1,3,4-thiadiazol-2-ylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 4-[5-(5-butylpyridin-2-yl)-3H-1,3,4-thiadiazol-2-ylidene]cyclohexa-2,5-dien-1-one Traditional Name: 4-[5-(5-butyl-2-pyridyl)-3H-1,3,4-thiadiazol-2-ylidene]cyclohexa-2,5-dien-1-one Formula: C17H17N3OS MolecularWeight: 311.40138

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CN=C(C=C1)C2=NNC(=C3C=CC(=O)C=C3)S2

Isomeric SMILES

CCCCC1=CN=C(C=C1)C2=NNC(=C3C=CC(=O)C=C3)S2

InChI

InChI=1S/C17H17N3OS/c1-2-3-4-12-5-10-15(18-11-12)17-20-19-16(22-17)13-6-8-14(21)9-7-13/h5-11,19H,2-4H2,1H3