(4Z)-2-oxidanyl-4-[4-(6-propoxynaphthalen-1-yl)-5-sulfanylidene-1,2,4-triazolidin-3-ylidene]cyclohexa-2,5-dien-1-one

Systemtic Name: (4Z)-2-oxidanyl-4-[4-(6-propoxynaphthalen-1-yl)-5-sulfanylidene-1,2,4-triazolidin-3-ylidene]cyclohexa-2,5-dien-1-one Openeye Name: (4Z)-2-hydroxy-4-[4-(6-propoxy-1-naphthyl)-5-thioxo-1,2,4-triazolidin-3-ylidene]cyclohexa-2,5-dien-1-one CAS Name: (4Z)-2-hydroxy-4-[4-(6-propoxy-1-naphthalenyl)-5-sulfanylidene-1,2,4-triazolidin-3-ylidene]-1-cyclohexa-2,5-dienone IUPAC Name: (4Z)-2-hydroxy-4-[4-(6-propoxynaphthalen-1-yl)-5-sulfanylidene-1,2,4-triazolidin-3-ylidene]cyclohexa-2,5-dien-1-one Traditional Name: (4Z)-2-hydroxy-4-[4-(6-propoxy-1-naphthyl)-5-thioxo-1,2,4-triazolidin-3-ylidene]cyclohexa-2,5-dien-1-one Formula: C21H19N3O3S MolecularWeight: 393.45886

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC2=C(C=C1)C(=CC=C2)N3C(=C4C=CC(=O)C(=C4)O)NNC3=S

Isomeric SMILES

CCCOC1=CC2=C(C=C1)C(=CC=C2)N3/C(=C/4\C=CC(=O)C(=C4)O)/NNC3=S

InChI

InChI=1S/C21H19N3O3S/c1-2-10-27-15-7-8-16-13(11-15)4-3-5-17(16)24-20(22-23-21(24)28)14-6-9-18(25)19(26)12-14/h3-9,11-12,22,26H,2,10H2,1H3,(H,23,28)/b20-14+