3-[4-(2-methoxyethyl)-3-(pyridin-3-ylmethylsulfanyl)-1H-1,2,4-triazol-5-ylidene]naphthalen-2-one

Systemtic Name: 3-[4-(2-methoxyethyl)-3-(pyridin-3-ylmethylsulfanyl)-1H-1,2,4-triazol-5-ylidene]naphthalen-2-one Openeye Name: 3-[4-(2-methoxyethyl)-3-(3-pyridylmethylsulfanyl)-1H-1,2,4-triazol-5-ylidene]naphthalen-2-one CAS Name: 3-[4-(2-methoxyethyl)-3-(3-pyridinylmethylthio)-1H-1,2,4-triazol-5-ylidene]-2-naphthalenone IUPAC Name: 3-[4-(2-methoxyethyl)-3-(pyridin-3-ylmethylsulfanyl)-1H-1,2,4-triazol-5-ylidene]naphthalen-2-one Traditional Name: 3-[4-(2-methoxyethyl)-3-(3-pyridylmethylthio)-1H-1,2,4-triazol-5-ylidene]naphthalen-2-one Formula: C21H20N4O2S MolecularWeight: 392.4741

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(=C2C=C3C=CC=CC3=CC2=O)NN=C1SCC4=CN=CC=C4

Isomeric SMILES

COCCN1C(=C2C=C3C=CC=CC3=CC2=O)NN=C1SCC4=CN=CC=C4

InChI

InChI=1S/C21H20N4O2S/c1-27-10-9-25-20(18-11-16-6-2-3-7-17(16)12-19(18)26)23-24-21(25)28-14-15-5-4-8-22-13-15/h2-8,11-13,23H,9-10,14H2,1H3