6-[4-ethyl-3-[2-(1-methylindol-3-yl)-2-oxidanylidene-ethyl]sulfanyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,4-dien-1-one

Systemtic Name: 6-[4-ethyl-3-[2-(1-methylindol-3-yl)-2-oxidanylidene-ethyl]sulfanyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,4-dien-1-one Openeye Name: 6-[4-ethyl-3-[2-(1-methylindol-3-yl)-2-oxo-ethyl]sulfanyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,4-dien-1-one CAS Name: 6-[4-ethyl-3-[[2-(1-methyl-3-indolyl)-2-oxoethyl]thio]-1H-1,2,4-triazol-5-ylidene]-1-cyclohexa-2,4-dienone IUPAC Name: 6-[4-ethyl-3-[2-(1-methylindol-3-yl)-2-oxoethyl]sulfanyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,4-dien-1-one Traditional Name: 6-[4-ethyl-3-[[2-keto-2-(1-methylindol-3-yl)ethyl]thio]-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,4-dien-1-one Formula: C21H20N4O2S MolecularWeight: 392.4741

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C2C=CC=CC2=O)NN=C1SCC(=O)C3=CN(C4=CC=CC=C43)C

Isomeric SMILES

CCN1C(=C2C=CC=CC2=O)NN=C1SCC(=O)C3=CN(C4=CC=CC=C43)C

InChI

InChI=1S/C21H20N4O2S/c1-3-25-20(15-9-5-7-11-18(15)26)22-23-21(25)28-13-19(27)16-12-24(2)17-10-6-4-8-14(16)17/h4-12,22H,3,13H2,1-2H3