2-[2-(3-azanyl-5-methyl-pyrazol-1-yl)-2-oxidanylidene-ethyl]sulfanyl-3-(1,3-benzodioxol-5-yl)quinazolin-4-one

Systemtic Name: 2-[2-(3-azanyl-5-methyl-pyrazol-1-yl)-2-oxidanylidene-ethyl]sulfanyl-3-(1,3-benzodioxol-5-yl)quinazolin-4-one Openeye Name: 2-[2-(3-amino-5-methyl-pyrazol-1-yl)-2-oxo-ethyl]sulfanyl-3-(1,3-benzodioxol-5-yl)quinazolin-4-one CAS Name: 2-[[2-(3-amino-5-methyl-1-pyrazolyl)-2-oxoethyl]thio]-3-(1,3-benzodioxol-5-yl)-4-quinazolinone IUPAC Name: 2-[2-(3-amino-5-methylpyrazol-1-yl)-2-oxoethyl]sulfanyl-3-(1,3-benzodioxol-5-yl)quinazolin-4-one Traditional Name: 2-[[2-(3-amino-5-methyl-pyrazol-1-yl)-2-keto-ethyl]thio]-3-(1,3-benzodioxol-5-yl)quinazolin-4-one Formula: C21H17N5O4S MolecularWeight: 435.45578

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC5=C(C=C4)OCO5)N

Isomeric SMILES

CC1=CC(=NN1C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC5=C(C=C4)OCO5)N

InChI

InChI=1S/C21H17N5O4S/c1-12-8-18(22)24-26(12)19(27)10-31-21-23-15-5-3-2-4-14(15)20(28)25(21)13-6-7-16-17(9-13)30-11-29-16/h2-9H,10-11H2,1H3,(H2,22,24)