1,5-dimethyl-4-[(E)-2-(6-nitro-1,3-benzothiazol-2-yl)ethenyl]pyrrole-2-carbonitrile

Systemtic Name: 1,5-dimethyl-4-[(E)-2-(6-nitro-1,3-benzothiazol-2-yl)ethenyl]pyrrole-2-carbonitrile Openeye Name: 1,5-dimethyl-4-[(E)-2-(6-nitro-1,3-benzothiazol-2-yl)vinyl]pyrrole-2-carbonitrile CAS Name: 1,5-dimethyl-4-[(E)-2-(6-nitro-1,3-benzothiazol-2-yl)ethenyl]-2-pyrrolecarbonitrile IUPAC Name: 1,5-dimethyl-4-[(E)-2-(6-nitro-1,3-benzothiazol-2-yl)ethenyl]pyrrole-2-carbonitrile Traditional Name: 1,5-dimethyl-4-[(E)-2-(6-nitro-1,3-benzothiazol-2-yl)vinyl]pyrrole-2-carbonitrile Formula: C16H12N4O2S MolecularWeight: 324.35708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(N1C)C#N)C=CC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(N1C)C#N)/C=C/C2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H12N4O2S/c1-10-11(7-13(9-17)19(10)2)3-6-16-18-14-5-4-12(20(21)22)8-15(14)23-16/h3-8H,1-2H3/b6-3+