3-[4-(2-methoxyethyl)-3-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanyl-1H-1,2,4-triazol-5-ylidene]naphthalen-2-one

Systemtic Name: 3-[4-(2-methoxyethyl)-3-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanyl-1H-1,2,4-triazol-5-ylidene]naphthalen-2-one Openeye Name: 3-[4-(2-methoxyethyl)-3-(2-oxo-2-pyrrolidin-1-yl-ethyl)sulfanyl-1H-1,2,4-triazol-5-ylidene]naphthalen-2-one CAS Name: 3-[4-(2-methoxyethyl)-3-[[2-oxo-2-(1-pyrrolidinyl)ethyl]thio]-1H-1,2,4-triazol-5-ylidene]-2-naphthalenone IUPAC Name: 3-[4-(2-methoxyethyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1H-1,2,4-triazol-5-ylidene]naphthalen-2-one Traditional Name: 3-[3-[(2-keto-2-pyrrolidino-ethyl)thio]-4-(2-methoxyethyl)-1H-1,2,4-triazol-5-ylidene]naphthalen-2-one Formula: C21H24N4O3S MolecularWeight: 412.50526

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(=C2C=C3C=CC=CC3=CC2=O)NN=C1SCC(=O)N4CCCC4

Isomeric SMILES

COCCN1C(=C2C=C3C=CC=CC3=CC2=O)NN=C1SCC(=O)N4CCCC4

InChI

InChI=1S/C21H24N4O3S/c1-28-11-10-25-20(17-12-15-6-2-3-7-16(15)13-18(17)26)22-23-21(25)29-14-19(27)24-8-4-5-9-24/h2-3,6-7,12-13,22H,4-5,8-11,14H2,1H3