2-[2-[[5-(2-methylprop-2-enylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-4-oxidanylidene-quinazolin-3-yl]ethanenitrile

Systemtic Name: 2-[2-[[5-(2-methylprop-2-enylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-4-oxidanylidene-quinazolin-3-yl]ethanenitrile Openeye Name: 2-[2-[[5-(2-methylallylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-4-oxo-quinazolin-3-yl]acetonitrile CAS Name: 2-[2-[[[5-(2-methylprop-2-enylthio)-1,3,4-thiadiazol-2-yl]thio]methyl]-4-oxo-3-quinazolinyl]acetonitrile IUPAC Name: 2-[2-[[5-(2-methylprop-2-enylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-4-oxoquinazolin-3-yl]acetonitrile Traditional Name: 2-[4-keto-2-[[[5-(2-methylallylthio)-1,3,4-thiadiazol-2-yl]thio]methyl]quinazolin-3-yl]acetonitrile Formula: C17H15N5OS3 MolecularWeight: 401.5289

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CSC1=NN=C(S1)SCC2=NC3=CC=CC=C3C(=O)N2CC#N

Isomeric SMILES

CC(=C)CSC1=NN=C(S1)SCC2=NC3=CC=CC=C3C(=O)N2CC#N

InChI

InChI=1S/C17H15N5OS3/c1-11(2)9-24-16-20-21-17(26-16)25-10-14-19-13-6-4-3-5-12(13)15(23)22(14)8-7-18/h3-6H,1,8-10H2,2H3