(Z)-2-(1,3-benzothiazol-2-yl)-3-[4-(dimethylamino)-3-nitro-phenyl]prop-2-enenitrile

Systemtic Name: (Z)-2-(1,3-benzothiazol-2-yl)-3-[4-(dimethylamino)-3-nitro-phenyl]prop-2-enenitrile Openeye Name: (Z)-2-(1,3-benzothiazol-2-yl)-3-[4-(dimethylamino)-3-nitro-phenyl]prop-2-enenitrile CAS Name: (Z)-2-(1,3-benzothiazol-2-yl)-3-[4-(dimethylamino)-3-nitrophenyl]-2-propenenitrile IUPAC Name: (Z)-2-(1,3-benzothiazol-2-yl)-3-[4-(dimethylamino)-3-nitrophenyl]prop-2-enenitrile Traditional Name: (Z)-2-(1,3-benzothiazol-2-yl)-3-[4-(dimethylamino)-3-nitro-phenyl]acrylonitrile Formula: C18H14N4O2S MolecularWeight: 350.39436

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14N4O2S/c1-21(2)15-8-7-12(10-16(15)22(23)24)9-13(11-19)18-20-14-5-3-4-6-17(14)25-18/h3-10H,1-2H3/b13-9-