methyl 4-oxidanylidene-2-[(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 4-oxidanylidene-2-[(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1H-quinazoline-7-carboxylate Openeye Name: methyl 4-oxo-2-[(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1H-quinazoline-7-carboxylate CAS Name: 4-oxo-2-[[[5-(propylthio)-1,3,4-thiadiazol-2-yl]thio]methyl]-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 4-oxo-2-[(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1H-quinazoline-7-carboxylate Traditional Name: 4-keto-2-[[[5-(propylthio)-1,3,4-thiadiazol-2-yl]thio]methyl]-1H-quinazoline-7-carboxylic acid methyl ester Formula: C16H16N4O3S3 MolecularWeight: 408.51824

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NN=C(S1)SCC2=NC(=O)C3=C(N2)C=C(C=C3)C(=O)OC

Isomeric SMILES

CCCSC1=NN=C(S1)SCC2=NC(=O)C3=C(N2)C=C(C=C3)C(=O)OC

InChI

InChI=1S/C16H16N4O3S3/c1-3-6-24-15-19-20-16(26-15)25-8-12-17-11-7-9(14(22)23-2)4-5-10(11)13(21)18-12/h4-5,7H,3,6,8H2,1-2H3,(H,17,18,21)