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

Systemtic Name: 2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 2-[[5-(allylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 2-[[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 2-[[[5-(allylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]-1H-quinazolin-4-one Formula: C14H13N5OS2 MolecularWeight: 331.41592

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC1=NN=C(S1)SCC2=NC(=O)C3=CC=CC=C3N2

Isomeric SMILES

C=CCNC1=NN=C(S1)SCC2=NC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C14H13N5OS2/c1-2-7-15-13-18-19-14(22-13)21-8-11-16-10-6-4-3-5-9(10)12(20)17-11/h2-6H,1,7-8H2,(H,15,18)(H,16,17,20)