6-[4-azanyl-3-[(3-methoxyphenyl)methylsulfanyl]-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,4-dien-1-one

Systemtic Name: 6-[4-azanyl-3-[(3-methoxyphenyl)methylsulfanyl]-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,4-dien-1-one Openeye Name: 6-[4-amino-3-[(3-methoxyphenyl)methylsulfanyl]-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,4-dien-1-one CAS Name: 6-[4-amino-3-[(3-methoxyphenyl)methylthio]-1H-1,2,4-triazol-5-ylidene]-1-cyclohexa-2,4-dienone IUPAC Name: 6-[4-amino-3-[(3-methoxyphenyl)methylsulfanyl]-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,4-dien-1-one Traditional Name: 6-[4-amino-3-(m-anisylthio)-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,4-dien-1-one Formula: C16H16N4O2S MolecularWeight: 328.38884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CSC2=NNC(=C3C=CC=CC3=O)N2N

Isomeric SMILES

COC1=CC=CC(=C1)CSC2=NNC(=C3C=CC=CC3=O)N2N

InChI

InChI=1S/C16H16N4O2S/c1-22-12-6-4-5-11(9-12)10-23-16-19-18-15(20(16)17)13-7-2-3-8-14(13)21/h2-9,18H,10,17H2,1H3