2-(1,3-benzothiazol-2-ylsulfanyl)-3-(5-nitro-2-prop-2-ynoxy-phenyl)prop-2-enenitrile

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-(5-nitro-2-prop-2-ynoxy-phenyl)prop-2-enenitrile Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-(5-nitro-2-prop-2-ynoxy-phenyl)prop-2-enenitrile CAS Name: 2-(1,3-benzothiazol-2-ylthio)-3-(5-nitro-2-prop-2-ynoxyphenyl)-2-propenenitrile IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-(5-nitro-2-prop-2-ynoxyphenyl)prop-2-enenitrile Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-3-(5-nitro-2-propargyloxy-phenyl)acrylonitrile Formula: C19H11N3O3S2 MolecularWeight: 393.43894

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Descriptors Computed from Structure

Canonical SMILES:

C#CCOC1=C(C=C(C=C1)[N+](=O)[O-])C=C(C#N)SC2=NC3=CC=CC=C3S2

Isomeric SMILES

C#CCOC1=C(C=C(C=C1)[N+](=O)[O-])C=C(C#N)SC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C19H11N3O3S2/c1-2-9-25-17-8-7-14(22(23)24)10-13(17)11-15(12-20)26-19-21-16-5-3-4-6-18(16)27-19/h1,3-8,10-11H,9H2