2-[[(Z)-1-[3-(1,3-benzoxazol-2-ylsulfanyl)propylamino]-2-nitro-ethenyl]amino]ethanethiol

Systemtic Name: 2-[[(Z)-1-[3-(1,3-benzoxazol-2-ylsulfanyl)propylamino]-2-nitro-ethenyl]amino]ethanethiol Openeye Name: 2-[[(Z)-1-[3-(1,3-benzoxazol-2-ylsulfanyl)propylamino]-2-nitro-vinyl]amino]ethanethiol CAS Name: 2-[[(Z)-1-[3-(1,3-benzoxazol-2-ylthio)propylamino]-2-nitroethenyl]amino]ethanethiol IUPAC Name: 2-[[(Z)-1-[3-(1,3-benzoxazol-2-ylsulfanyl)propylamino]-2-nitroethenyl]amino]ethanethiol Traditional Name: 2-[[(Z)-1-[3-(1,3-benzoxazol-2-ylthio)propylamino]-2-nitro-vinyl]amino]ethanethiol Formula: C14H18N4O3S2 MolecularWeight: 354.44772

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(O2)SCCCNC(=C[N+](=O)[O-])NCCS

Isomeric SMILES

C1=CC=C2C(=C1)N=C(O2)SCCCN/C(=C/[N+](=O)[O-])/NCCS

InChI

InChI=1S/C14H18N4O3S2/c19-18(20)10-13(16-7-8-22)15-6-3-9-23-14-17-11-4-1-2-5-12(11)21-14/h1-2,4-5,10,15-16,22H,3,6-9H2/b13-10-