3-(3-pyrrolidin-1-ylsulfonylphenyl)-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 3-(3-pyrrolidin-1-ylsulfonylphenyl)-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-(3-pyrrolidin-1-ylsulfonylphenyl)-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[3-(1-pyrrolidinylsulfonyl)phenyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-(3-pyrrolidin-1-ylsulfonylphenyl)-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-(3-pyrrolidinosulfonylphenyl)-2-thioxo-1H-quinazolin-4-one Formula: C18H17N3O3S2 MolecularWeight: 387.47588

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)N3C(=O)C4=CC=CC=C4NC3=S

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)N3C(=O)C4=CC=CC=C4NC3=S

InChI

InChI=1S/C18H17N3O3S2/c22-17-15-8-1-2-9-16(15)19-18(25)21(17)13-6-5-7-14(12-13)26(23,24)20-10-3-4-11-20/h1-2,5-9,12H,3-4,10-11H2,(H,19,25)