2-[[4-(4-chlorophenyl)-5-sulfanylidene-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-8-methyl-1H-quinazolin-4-one

Systemtic Name: 2-[[4-(4-chlorophenyl)-5-sulfanylidene-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-8-methyl-1H-quinazolin-4-one Openeye Name: 2-[[4-(4-chlorophenyl)-5-thioxo-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-8-methyl-1H-quinazolin-4-one CAS Name: 2-[[[4-(4-chlorophenyl)-5-sulfanylidene-1,3,4-thiadiazol-2-yl]thio]methyl]-8-methyl-1H-quinazolin-4-one IUPAC Name: 2-[[4-(4-chlorophenyl)-5-sulfanylidene-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-8-methyl-1H-quinazolin-4-one Traditional Name: 2-[[[4-(4-chlorophenyl)-5-thioxo-1,3,4-thiadiazol-2-yl]thio]methyl]-8-methyl-1H-quinazolin-4-one Formula: C18H13ClN4OS3 MolecularWeight: 432.97002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1NC(=NC2=O)CSC3=NN(C(=S)S3)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=CC=CC2=C1NC(=NC2=O)CSC3=NN(C(=S)S3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C18H13ClN4OS3/c1-10-3-2-4-13-15(10)20-14(21-16(13)24)9-26-17-22-23(18(25)27-17)12-7-5-11(19)6-8-12/h2-8H,9H2,1H3,(H,20,21,24)