3-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 3-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[(5-pyrrolidin-1-ylsulfonyl-2-thienyl)methyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[[5-(1-pyrrolidinylsulfonyl)-2-thiophenyl]methyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-[(5-pyrrolidinosulfonyl-2-thienyl)methyl]-2-thioxo-1H-quinazolin-4-one Formula: C17H17N3O3S3 MolecularWeight: 407.53018

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(S2)CN3C(=O)C4=CC=CC=C4NC3=S

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(S2)CN3C(=O)C4=CC=CC=C4NC3=S

InChI

InChI=1S/C17H17N3O3S3/c21-16-13-5-1-2-6-14(13)18-17(24)20(16)11-12-7-8-15(25-12)26(22,23)19-9-3-4-10-19/h1-2,5-8H,3-4,9-11H2,(H,18,24)