2-chloranyl-4-[[(3-methylsulfanyl-5-phenyl-1,2,4-triazol-4-yl)amino]methylidene]cyclohexa-2,5-dien-1-one

Systemtic Name: 2-chloranyl-4-[[(3-methylsulfanyl-5-phenyl-1,2,4-triazol-4-yl)amino]methylidene]cyclohexa-2,5-dien-1-one Openeye Name: 2-chloro-4-[[(3-methylsulfanyl-5-phenyl-1,2,4-triazol-4-yl)amino]methylene]cyclohexa-2,5-dien-1-one CAS Name: 2-chloro-4-[[[3-(methylthio)-5-phenyl-1,2,4-triazol-4-yl]amino]methylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 2-chloro-4-[[(3-methylsulfanyl-5-phenyl-1,2,4-triazol-4-yl)amino]methylidene]cyclohexa-2,5-dien-1-one Traditional Name: 2-chloro-4-[[[3-(methylthio)-5-phenyl-1,2,4-triazol-4-yl]amino]methylene]cyclohexa-2,5-dien-1-one Formula: C16H13ClN4OS MolecularWeight: 344.81862

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NN=C(N1NC=C2C=CC(=O)C(=C2)Cl)C3=CC=CC=C3

Isomeric SMILES

CSC1=NN=C(N1NC=C2C=CC(=O)C(=C2)Cl)C3=CC=CC=C3

InChI

InChI=1S/C16H13ClN4OS/c1-23-16-20-19-15(12-5-3-2-4-6-12)21(16)18-10-11-7-8-14(22)13(17)9-11/h2-10,18H,1H3