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

Systemtic Name: 2-[[5-(butylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 2-[[5-(butylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 2-[[[5-(butylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[5-(butylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 2-[[[5-(butylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]-1H-quinazolin-4-one Formula: C15H17N5OS2 MolecularWeight: 347.45838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NN=C(S1)SCC2=NC(=O)C3=CC=CC=C3N2

Isomeric SMILES

CCCCNC1=NN=C(S1)SCC2=NC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C15H17N5OS2/c1-2-3-8-16-14-19-20-15(23-14)22-9-12-17-11-7-5-4-6-10(11)13(21)18-12/h4-7H,2-3,8-9H2,1H3,(H,16,19)(H,17,18,21)