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

Systemtic Name: 3-[4-ethyl-3-(pyridin-3-ylmethylsulfanyl)-1H-1,2,4-triazol-5-ylidene]naphthalen-2-one Openeye Name: 3-[4-ethyl-3-(3-pyridylmethylsulfanyl)-1H-1,2,4-triazol-5-ylidene]naphthalen-2-one CAS Name: 3-[4-ethyl-3-(3-pyridinylmethylthio)-1H-1,2,4-triazol-5-ylidene]-2-naphthalenone IUPAC Name: 3-[4-ethyl-3-(pyridin-3-ylmethylsulfanyl)-1H-1,2,4-triazol-5-ylidene]naphthalen-2-one Traditional Name: 3-[4-ethyl-3-(3-pyridylmethylthio)-1H-1,2,4-triazol-5-ylidene]naphthalen-2-one Formula: C20H18N4OS MolecularWeight: 362.44812

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C2C=C3C=CC=CC3=CC2=O)NN=C1SCC4=CN=CC=C4

Isomeric SMILES

CCN1C(=C2C=C3C=CC=CC3=CC2=O)NN=C1SCC4=CN=CC=C4

InChI

InChI=1S/C20H18N4OS/c1-2-24-19(17-10-15-7-3-4-8-16(15)11-18(17)25)22-23-20(24)26-13-14-6-5-9-21-12-14/h3-12,22H,2,13H2,1H3