8-iodanyl-2-methyl-3-[(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)methyl]quinazolin-4-one

Systemtic Name: 8-iodanyl-2-methyl-3-[(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)methyl]quinazolin-4-one Openeye Name: 8-iodo-2-methyl-3-[(5-thioxo-1,2-dihydro-1,2,4-triazol-3-yl)methyl]quinazolin-4-one CAS Name: 8-iodo-2-methyl-3-[(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)methyl]-4-quinazolinone IUPAC Name: 8-iodo-2-methyl-3-[(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)methyl]quinazolin-4-one Traditional Name: 8-iodo-2-methyl-3-[(5-thioxo-1,2-dihydro-1,2,4-triazol-3-yl)methyl]quinazolin-4-one Formula: C12H10IN5OS MolecularWeight: 399.21017

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC=C2I)C(=O)N1CC3=NC(=S)NN3

Isomeric SMILES

CC1=NC2=C(C=CC=C2I)C(=O)N1CC3=NC(=S)NN3

InChI

InChI=1S/C12H10IN5OS/c1-6-14-10-7(3-2-4-8(10)13)11(19)18(6)5-9-15-12(20)17-16-9/h2-4H,5H2,1H3,(H2,15,16,17,20)