2-[2-[(3-nitro-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)amino]ethylsulfanylmethyl]benzenecarbonitrile

Systemtic Name: 2-[2-[(3-nitro-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)amino]ethylsulfanylmethyl]benzenecarbonitrile Openeye Name: 2-[2-[(3-nitro-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)amino]ethylsulfanylmethyl]benzonitrile CAS Name: 2-[[2-[(3-nitro-4-oxo-2-pyrido[1,2-a]pyrimidinyl)amino]ethylthio]methyl]benzonitrile IUPAC Name: 2-[2-[(3-nitro-4-oxopyrido[1,2-a]pyrimidin-2-yl)amino]ethylsulfanylmethyl]benzonitrile Traditional Name: 2-[[2-[(4-keto-3-nitro-pyrido[1,2-a]pyrimidin-2-yl)amino]ethylthio]methyl]benzonitrile Formula: C18H15N5O3S MolecularWeight: 381.4084

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CSCCNC2=C(C(=O)N3C=CC=CC3=N2)[N+](=O)[O-])C#N

Isomeric SMILES

C1=CC=C(C(=C1)CSCCNC2=C(C(=O)N3C=CC=CC3=N2)[N+](=O)[O-])C#N

InChI

InChI=1S/C18H15N5O3S/c19-11-13-5-1-2-6-14(13)12-27-10-8-20-17-16(23(25)26)18(24)22-9-4-3-7-15(22)21-17/h1-7,9,20H,8,10,12H2