4-[3-[(2-chlorophenyl)methylsulfanyl]-4-ethyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,5-dien-1-one

Systemtic Name: 4-[3-[(2-chlorophenyl)methylsulfanyl]-4-ethyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,5-dien-1-one Openeye Name: 4-[3-[(2-chlorophenyl)methylsulfanyl]-4-ethyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,5-dien-1-one CAS Name: 4-[3-[(2-chlorophenyl)methylthio]-4-ethyl-1H-1,2,4-triazol-5-ylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 4-[3-[(2-chlorophenyl)methylsulfanyl]-4-ethyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,5-dien-1-one Traditional Name: 4-[3-[(2-chlorobenzyl)thio]-4-ethyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,5-dien-1-one Formula: C17H16ClN3OS MolecularWeight: 345.84644

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C2C=CC(=O)C=C2)NN=C1SCC3=CC=CC=C3Cl

Isomeric SMILES

CCN1C(=C2C=CC(=O)C=C2)NN=C1SCC3=CC=CC=C3Cl

InChI

InChI=1S/C17H16ClN3OS/c1-2-21-16(12-7-9-14(22)10-8-12)19-20-17(21)23-11-13-5-3-4-6-15(13)18/h3-10,19H,2,11H2,1H3