2-[[5-[(4-propan-2-ylphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1H-quinazolin-4-one

Systemtic Name: 2-[[5-[(4-propan-2-ylphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 2-[[5-(4-isopropylanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 2-[[[5-(4-propan-2-ylanilino)-1,3,4-thiadiazol-2-yl]thio]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[5-(4-propan-2-ylanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 2-[[(5-cumidino-1,3,4-thiadiazol-2-yl)thio]methyl]-1H-quinazolin-4-one Formula: C20H19N5OS2 MolecularWeight: 409.52776

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC2=NN=C(S2)SCC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)NC2=NN=C(S2)SCC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C20H19N5OS2/c1-12(2)13-7-9-14(10-8-13)21-19-24-25-20(28-19)27-11-17-22-16-6-4-3-5-15(16)18(26)23-17/h3-10,12H,11H2,1-2H3,(H,21,24)(H,22,23,26)