3-azanyl-1-[2-(4,7-dimethyl-2-oxidanylidene-chromen-6-yl)oxyethanoyl]-5-methylsulfanyl-pyrazole-4-carbonitrile

Systemtic Name: 3-azanyl-1-[2-(4,7-dimethyl-2-oxidanylidene-chromen-6-yl)oxyethanoyl]-5-methylsulfanyl-pyrazole-4-carbonitrile Openeye Name: 3-amino-1-[2-(4,7-dimethyl-2-oxo-chromen-6-yl)oxyacetyl]-5-methylsulfanyl-pyrazole-4-carbonitrile CAS Name: 3-amino-1-[2-[(4,7-dimethyl-2-oxo-1-benzopyran-6-yl)oxy]-1-oxoethyl]-5-(methylthio)-4-pyrazolecarbonitrile IUPAC Name: 3-amino-1-[2-(4,7-dimethyl-2-oxochromen-6-yl)oxyacetyl]-5-methylsulfanylpyrazole-4-carbonitrile Traditional Name: 3-amino-1-[2-(2-keto-4,7-dimethyl-chromen-6-yl)oxyacetyl]-5-(methylthio)pyrazole-4-carbonitrile Formula: C18H16N4O4S MolecularWeight: 384.40904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=CC(=C(C=C12)OCC(=O)N3C(=C(C(=N3)N)C#N)SC)C

Isomeric SMILES

CC1=CC(=O)OC2=CC(=C(C=C12)OCC(=O)N3C(=C(C(=N3)N)C#N)SC)C

InChI

InChI=1S/C18H16N4O4S/c1-9-5-16(24)26-14-4-10(2)13(6-11(9)14)25-8-15(23)22-18(27-3)12(7-19)17(20)21-22/h4-6H,8H2,1-3H3,(H2,20,21)