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

Systemtic Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(4-methyl-3-nitro-phenyl)prop-2-enenitrile Openeye Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(4-methyl-3-nitro-phenyl)prop-2-enenitrile CAS Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(4-methyl-3-nitrophenyl)-2-propenenitrile IUPAC Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(4-methyl-3-nitrophenyl)prop-2-enenitrile Traditional Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(4-methyl-3-nitro-phenyl)acrylonitrile Formula: C17H11N3O2S MolecularWeight: 321.35314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C=C(C#N)C2=NC3=CC=CC=C3S2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)/C=C(\C#N)/C2=NC3=CC=CC=C3S2)[N+](=O)[O-]

InChI

InChI=1S/C17H11N3O2S/c1-11-6-7-12(9-15(11)20(21)22)8-13(10-18)17-19-14-4-2-3-5-16(14)23-17/h2-9H,1H3/b13-8+