2-cyano-3-[1-(2-cyanoethyl)-3-(2-oxidanylidenechromen-3-yl)pyrazol-4-yl]prop-2-enethioamide

Systemtic Name: 2-cyano-3-[1-(2-cyanoethyl)-3-(2-oxidanylidenechromen-3-yl)pyrazol-4-yl]prop-2-enethioamide Openeye Name: 2-cyano-3-[1-(2-cyanoethyl)-3-(2-oxochromen-3-yl)pyrazol-4-yl]prop-2-enethioamide CAS Name: 2-cyano-3-[1-(2-cyanoethyl)-3-(2-oxo-1-benzopyran-3-yl)-4-pyrazolyl]-2-propenethioamide IUPAC Name: 2-cyano-3-[1-(2-cyanoethyl)-3-(2-oxochromen-3-yl)pyrazol-4-yl]prop-2-enethioamide Traditional Name: 2-cyano-3-[1-(2-cyanoethyl)-3-(2-ketochromen-3-yl)pyrazol-4-yl]thioacrylamide Formula: C19H13N5O2S MolecularWeight: 375.40382

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(C(=O)O2)C3=NN(C=C3C=C(C#N)C(=S)N)CCC#N

Isomeric SMILES

C1=CC=C2C(=C1)C=C(C(=O)O2)C3=NN(C=C3C=C(C#N)C(=S)N)CCC#N

InChI

InChI=1S/C19H13N5O2S/c20-6-3-7-24-11-14(8-13(10-21)18(22)27)17(23-24)15-9-12-4-1-2-5-16(12)26-19(15)25/h1-2,4-5,8-9,11H,3,7H2,(H2,22,27)