6-iodanyl-3-(3-methylphenyl)carbonyl-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 6-iodanyl-3-(3-methylphenyl)carbonyl-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 6-iodo-3-(3-methylbenzoyl)-2-thioxo-1H-quinazolin-4-one CAS Name: 6-iodo-3-[(3-methylphenyl)-oxomethyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 6-iodo-3-(3-methylbenzoyl)-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 6-iodo-3-m-toluoyl-2-thioxo-1H-quinazolin-4-one Formula: C16H11IN2O2S MolecularWeight: 422.24021

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)N2C(=O)C3=C(C=CC(=C3)I)NC2=S

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N2C(=O)C3=C(C=CC(=C3)I)NC2=S

InChI

InChI=1S/C16H11IN2O2S/c1-9-3-2-4-10(7-9)14(20)19-15(21)12-8-11(17)5-6-13(12)18-16(19)22/h2-8H,1H3,(H,18,22)