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

Systemtic Name: 4-[3-[(2-chlorophenyl)methylsulfanyl]-4-methyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,5-dien-1-one Openeye Name: 4-[3-[(2-chlorophenyl)methylsulfanyl]-4-methyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,5-dien-1-one CAS Name: 4-[3-[(2-chlorophenyl)methylthio]-4-methyl-1H-1,2,4-triazol-5-ylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 4-[3-[(2-chlorophenyl)methylsulfanyl]-4-methyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,5-dien-1-one Traditional Name: 4-[3-[(2-chlorobenzyl)thio]-4-methyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,5-dien-1-one Formula: C16H14ClN3OS MolecularWeight: 331.81986

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C2C=CC(=O)C=C2)NN=C1SCC3=CC=CC=C3Cl

Isomeric SMILES

CN1C(=C2C=CC(=O)C=C2)NN=C1SCC3=CC=CC=C3Cl

InChI

InChI=1S/C16H14ClN3OS/c1-20-15(11-6-8-13(21)9-7-11)18-19-16(20)22-10-12-4-2-3-5-14(12)17/h2-9,18H,10H2,1H3