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

Systemtic Name: 2-[4-oxidanylidene-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]quinazolin-3-yl]ethanenitrile Openeye Name: 2-[2-[[5-(allylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-4-oxo-quinazolin-3-yl]acetonitrile CAS Name: 2-[4-oxo-2-[[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]-3-quinazolinyl]acetonitrile IUPAC Name: 2-[4-oxo-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]quinazolin-3-yl]acetonitrile Traditional Name: 2-[2-[[[5-(allylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]-4-keto-quinazolin-3-yl]acetonitrile Formula: C16H14N6OS2 MolecularWeight: 370.45196

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC1=NN=C(S1)SCC2=NC3=CC=CC=C3C(=O)N2CC#N

Isomeric SMILES

C=CCNC1=NN=C(S1)SCC2=NC3=CC=CC=C3C(=O)N2CC#N

InChI

InChI=1S/C16H14N6OS2/c1-2-8-18-15-20-21-16(25-15)24-10-13-19-12-6-4-3-5-11(12)14(23)22(13)9-7-17/h2-6H,1,8-10H2,(H,18,20)