(E)-2-(1,3-benzothiazol-2-yl)-3-(4-ethyl-3-nitro-phenyl)prop-2-enenitrile

Systemtic Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(4-ethyl-3-nitro-phenyl)prop-2-enenitrile Openeye Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(4-ethyl-3-nitro-phenyl)prop-2-enenitrile CAS Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(4-ethyl-3-nitrophenyl)-2-propenenitrile IUPAC Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(4-ethyl-3-nitrophenyl)prop-2-enenitrile Traditional Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(4-ethyl-3-nitro-phenyl)acrylonitrile Formula: C18H13N3O2S MolecularWeight: 335.37972

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)C=C(C#N)C2=NC3=CC=CC=C3S2)[N+](=O)[O-]

Isomeric SMILES

CCC1=C(C=C(C=C1)/C=C(\C#N)/C2=NC3=CC=CC=C3S2)[N+](=O)[O-]

InChI

InChI=1S/C18H13N3O2S/c1-2-13-8-7-12(10-16(13)21(22)23)9-14(11-19)18-20-15-5-3-4-6-17(15)24-18/h3-10H,2H2,1H3/b14-9+