1-[[[3-(2,4-dimethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]amino]methylidene]naphthalen-2-one

Systemtic Name: 1-[[[3-(2,4-dimethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]amino]methylidene]naphthalen-2-one Openeye Name: 1-[[[3-(2,4-dimethoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]amino]methylene]naphthalen-2-one CAS Name: 1-[[[3-(2,4-dimethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]amino]methylidene]-2-naphthalenone IUPAC Name: 1-[[[3-(2,4-dimethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]amino]methylidene]naphthalen-2-one Traditional Name: 1-[[[3-(2,4-dimethoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]amino]methylene]naphthalen-2-one Formula: C21H18N4O3S MolecularWeight: 406.45762

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2=NNC(=S)N2NC=C3C(=O)C=CC4=CC=CC=C43)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C2=NNC(=S)N2NC=C3C(=O)C=CC4=CC=CC=C43)OC

InChI

InChI=1S/C21H18N4O3S/c1-27-14-8-9-16(19(11-14)28-2)20-23-24-21(29)25(20)22-12-17-15-6-4-3-5-13(15)7-10-18(17)26/h3-12,22H,1-2H3,(H,24,29)