6-[[[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]phenyl]amino]methylidene]cyclohexa-2,4-dien-1-one

Systemtic Name: 6-[[[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]phenyl]amino]methylidene]cyclohexa-2,4-dien-1-one Openeye Name: 6-[[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]anilino]methylene]cyclohexa-2,4-dien-1-one CAS Name: 6-[[2-[(3,5-dimethyl-1H-pyrazol-4-yl)thio]anilino]methylidene]-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]anilino]methylidene]cyclohexa-2,4-dien-1-one Traditional Name: 6-[[2-[(3,5-dimethyl-1H-pyrazol-4-yl)thio]anilino]methylene]cyclohexa-2,4-dien-1-one Formula: C18H17N3OS MolecularWeight: 323.41208

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)C)SC2=CC=CC=C2NC=C3C=CC=CC3=O

Isomeric SMILES

CC1=C(C(=NN1)C)SC2=CC=CC=C2NC=C3C=CC=CC3=O

InChI

InChI=1S/C18H17N3OS/c1-12-18(13(2)21-20-12)23-17-10-6-4-8-15(17)19-11-14-7-3-5-9-16(14)22/h3-11,19H,1-2H3,(H,20,21)