(E)-3-azanyl-2-[2-[(5-oxidanylidene-4-propyl-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]ethanoyl]but-2-enenitrile

Systemtic Name: (E)-3-azanyl-2-[2-[(5-oxidanylidene-4-propyl-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]ethanoyl]but-2-enenitrile Openeye Name: (E)-3-amino-2-[2-[(5-oxo-4-propyl-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetyl]but-2-enenitrile CAS Name: (E)-3-amino-2-[1-oxo-2-[(5-oxo-4-propyl-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)thio]ethyl]-2-butenenitrile IUPAC Name: (E)-3-amino-2-[2-[(5-oxo-4-propyl-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetyl]but-2-enenitrile Traditional Name: (E)-3-amino-2-[2-[(5-keto-4-propyl-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)thio]acetyl]but-2-enenitrile Formula: C18H18N6O2S MolecularWeight: 382.43952

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2N3C1=NN=C3SCC(=O)C(=C(C)N)C#N

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2N3C1=NN=C3SCC(=O)/C(=C(\C)/N)/C#N

InChI

InChI=1S/C18H18N6O2S/c1-3-8-23-16(26)12-6-4-5-7-14(12)24-17(23)21-22-18(24)27-10-15(25)13(9-19)11(2)20/h4-7H,3,8,10,20H2,1-2H3/b13-11+