3-[(Z)-[2,5-dimethyl-1-(2-propan-2-ylpyrazol-3-yl)pyrrol-3-yl]methylideneamino]-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 3-[(Z)-[2,5-dimethyl-1-(2-propan-2-ylpyrazol-3-yl)pyrrol-3-yl]methylideneamino]-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[(Z)-[1-(2-isopropylpyrazol-3-yl)-2,5-dimethyl-pyrrol-3-yl]methyleneamino]-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[(Z)-[2,5-dimethyl-1-(2-propan-2-yl-3-pyrazolyl)-3-pyrrolyl]methylideneamino]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[(Z)-[2,5-dimethyl-1-(2-propan-2-ylpyrazol-3-yl)pyrrol-3-yl]methylideneamino]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-[(Z)-[1-(2-isopropylpyrazol-3-yl)-2,5-dimethyl-pyrrol-3-yl]methyleneamino]-2-thioxo-1H-quinazolin-4-one Formula: C21H22N6OS MolecularWeight: 406.50398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=NN2C(C)C)C)C=NN3C(=O)C4=CC=CC=C4NC3=S

Isomeric SMILES

CC1=CC(=C(N1C2=CC=NN2C(C)C)C)/C=N\N3C(=O)C4=CC=CC=C4NC3=S

InChI

InChI=1S/C21H22N6OS/c1-13(2)26-19(9-10-22-26)25-14(3)11-16(15(25)4)12-23-27-20(28)17-7-5-6-8-18(17)24-21(27)29/h5-13H,1-4H3,(H,24,29)/b23-12-