2-methoxy-4-[[[3-(naphthalen-1-ylmethyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]amino]methylidene]cyclohexa-2,5-dien-1-one

Systemtic Name: 2-methoxy-4-[[[3-(naphthalen-1-ylmethyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]amino]methylidene]cyclohexa-2,5-dien-1-one Openeye Name: 2-methoxy-4-[[[3-(1-naphthylmethyl)-5-thioxo-1H-1,2,4-triazol-4-yl]amino]methylene]cyclohexa-2,5-dien-1-one CAS Name: 2-methoxy-4-[[[3-(1-naphthalenylmethyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]amino]methylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 2-methoxy-4-[[[3-(naphthalen-1-ylmethyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]amino]methylidene]cyclohexa-2,5-dien-1-one Traditional Name: 2-methoxy-4-[[[3-(1-naphthylmethyl)-5-thioxo-1H-1,2,4-triazol-4-yl]amino]methylene]cyclohexa-2,5-dien-1-one Formula: C21H18N4O2S MolecularWeight: 390.45822

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CNN2C(=NNC2=S)CC3=CC=CC4=CC=CC=C43)C=CC1=O

Isomeric SMILES

COC1=CC(=CNN2C(=NNC2=S)CC3=CC=CC4=CC=CC=C43)C=CC1=O

InChI

InChI=1S/C21H18N4O2S/c1-27-19-11-14(9-10-18(19)26)13-22-25-20(23-24-21(25)28)12-16-7-4-6-15-5-2-3-8-17(15)16/h2-11,13,22H,12H2,1H3,(H,24,28)