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

Systemtic Name: 2-[[5-[(3,4-dimethylphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 2-[[5-(3,4-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 2-[[[5-(3,4-dimethylanilino)-1,3,4-thiadiazol-2-yl]thio]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[5-(3,4-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 2-[[[5-(3,4-dimethylanilino)-1,3,4-thiadiazol-2-yl]thio]methyl]-1H-quinazolin-4-one Formula: C19H17N5OS2 MolecularWeight: 395.50118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2=NN=C(S2)SCC3=NC(=O)C4=CC=CC=C4N3)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=NN=C(S2)SCC3=NC(=O)C4=CC=CC=C4N3)C

InChI

InChI=1S/C19H17N5OS2/c1-11-7-8-13(9-12(11)2)20-18-23-24-19(27-18)26-10-16-21-15-6-4-3-5-14(15)17(25)22-16/h3-9H,10H2,1-2H3,(H,20,23)(H,21,22,25)