3-[1-[(3-methoxyphenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 3-[1-[(3-methoxyphenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[1-[(3-methoxyphenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[1-[(3-methoxyphenyl)methyl]-3,5-dimethyl-4-pyrazolyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[1-[(3-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-(1-m-anisyl-3,5-dimethyl-pyrazol-4-yl)-2-thioxo-1H-quinazolin-4-one Formula: C21H20N4O2S MolecularWeight: 392.4741

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC(=CC=C2)OC)C)N3C(=O)C4=CC=CC=C4NC3=S

Isomeric SMILES

CC1=C(C(=NN1CC2=CC(=CC=C2)OC)C)N3C(=O)C4=CC=CC=C4NC3=S

InChI

InChI=1S/C21H20N4O2S/c1-13-19(25-20(26)17-9-4-5-10-18(17)22-21(25)28)14(2)24(23-13)12-15-7-6-8-16(11-15)27-3/h4-11H,12H2,1-3H3,(H,22,28)