6-chloranyl-7-methyl-4-[(4-sulfanylidene-1H-quinazolin-2-yl)sulfanylmethyl]chromen-2-one

Systemtic Name: 6-chloranyl-7-methyl-4-[(4-sulfanylidene-1H-quinazolin-2-yl)sulfanylmethyl]chromen-2-one Openeye Name: 6-chloro-7-methyl-4-[(4-thioxo-1H-quinazolin-2-yl)sulfanylmethyl]chromen-2-one CAS Name: 6-chloro-7-methyl-4-[[(4-sulfanylidene-1H-quinazolin-2-yl)thio]methyl]-1-benzopyran-2-one IUPAC Name: 6-chloro-7-methyl-4-[(4-sulfanylidene-1H-quinazolin-2-yl)sulfanylmethyl]chromen-2-one Traditional Name: 6-chloro-7-methyl-4-[[(4-thioxo-1H-quinazolin-2-yl)thio]methyl]coumarin Formula: C19H13ClN2O2S2 MolecularWeight: 400.90172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NC(=S)C4=CC=CC=C4N3)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NC(=S)C4=CC=CC=C4N3)Cl

InChI

InChI=1S/C19H13ClN2O2S2/c1-10-6-16-13(8-14(10)20)11(7-17(23)24-16)9-26-19-21-15-5-3-2-4-12(15)18(25)22-19/h2-8H,9H2,1H3,(H,21,22,25)