(5Z)-3-hexyl-5-(3-methylsulfanyl-4-phenyl-1H-1,2,4-triazol-5-ylidene)pyridin-4-one

Systemtic Name: (5Z)-3-hexyl-5-(3-methylsulfanyl-4-phenyl-1H-1,2,4-triazol-5-ylidene)pyridin-4-one Openeye Name: (5Z)-3-hexyl-5-(3-methylsulfanyl-4-phenyl-1H-1,2,4-triazol-5-ylidene)pyridin-4-one CAS Name: (5Z)-3-hexyl-5-[3-(methylthio)-4-phenyl-1H-1,2,4-triazol-5-ylidene]-4-pyridinone IUPAC Name: (5Z)-3-hexyl-5-(3-methylsulfanyl-4-phenyl-1H-1,2,4-triazol-5-ylidene)pyridin-4-one Traditional Name: (5Z)-3-hexyl-5-[3-(methylthio)-4-phenyl-1H-1,2,4-triazol-5-ylidene]-4-pyridone Formula: C20H24N4OS MolecularWeight: 368.49576

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CN=CC(=C2NN=C(N2C3=CC=CC=C3)SC)C1=O

Isomeric SMILES

CCCCCCC1=CN=C/C(=C\2/NN=C(N2C3=CC=CC=C3)SC)/C1=O

InChI

InChI=1S/C20H24N4OS/c1-3-4-5-7-10-15-13-21-14-17(18(15)25)19-22-23-20(26-2)24(19)16-11-8-6-9-12-16/h6,8-9,11-14,22H,3-5,7,10H2,1-2H3/b19-17+