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

Systemtic Name: 6-[3-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanyl-4-phenyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,4-dien-1-one Openeye Name: 6-[3-(2-oxo-2-pyrrolidin-1-yl-ethyl)sulfanyl-4-phenyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,4-dien-1-one CAS Name: 6-[3-[[2-oxo-2-(1-pyrrolidinyl)ethyl]thio]-4-phenyl-1H-1,2,4-triazol-5-ylidene]-1-cyclohexa-2,4-dienone IUPAC Name: 6-[3-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-4-phenyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,4-dien-1-one Traditional Name: 6-[3-[(2-keto-2-pyrrolidino-ethyl)thio]-4-phenyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,4-dien-1-one Formula: C20H20N4O2S MolecularWeight: 380.4634

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CSC2=NNC(=C3C=CC=CC3=O)N2C4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)C(=O)CSC2=NNC(=C3C=CC=CC3=O)N2C4=CC=CC=C4

InChI

InChI=1S/C20H20N4O2S/c25-17-11-5-4-10-16(17)19-21-22-20(24(19)15-8-2-1-3-9-15)27-14-18(26)23-12-6-7-13-23/h1-5,8-11,21H,6-7,12-14H2