2-(1,3-benzothiazol-2-ylsulfanyl)-3-(4-methoxy-3-nitro-phenyl)prop-2-enenitrile

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-(4-methoxy-3-nitro-phenyl)prop-2-enenitrile Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-(4-methoxy-3-nitro-phenyl)prop-2-enenitrile CAS Name: 2-(1,3-benzothiazol-2-ylthio)-3-(4-methoxy-3-nitrophenyl)-2-propenenitrile IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-(4-methoxy-3-nitrophenyl)prop-2-enenitrile Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-3-(4-methoxy-3-nitro-phenyl)acrylonitrile Formula: C17H11N3O3S2 MolecularWeight: 369.41754

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=C(C#N)SC2=NC3=CC=CC=C3S2)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C=C(C#N)SC2=NC3=CC=CC=C3S2)[N+](=O)[O-]

InChI

InChI=1S/C17H11N3O3S2/c1-23-15-7-6-11(9-14(15)20(21)22)8-12(10-18)24-17-19-13-4-2-3-5-16(13)25-17/h2-9H,1H3