4-[(E)-2-benzo[e][1,3]benzothiazol-2-ylethenyl]-1,5-dimethyl-pyrrole-2-carbonitrile

Systemtic Name: 4-[(E)-2-benzo[e][1,3]benzothiazol-2-ylethenyl]-1,5-dimethyl-pyrrole-2-carbonitrile Openeye Name: 4-[(E)-2-benzo[e][1,3]benzothiazol-2-ylvinyl]-1,5-dimethyl-pyrrole-2-carbonitrile CAS Name: 4-[(E)-2-(2-benzo[e][1,3]benzothiazolyl)ethenyl]-1,5-dimethyl-2-pyrrolecarbonitrile IUPAC Name: 4-[(E)-2-benzo[e][1,3]benzothiazol-2-ylethenyl]-1,5-dimethylpyrrole-2-carbonitrile Traditional Name: 4-[(E)-2-benzo[e][1,3]benzothiazol-2-ylvinyl]-1,5-dimethyl-pyrrole-2-carbonitrile Formula: C20H15N3S MolecularWeight: 329.4182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(N1C)C#N)C=CC2=NC3=C(S2)C=CC4=CC=CC=C43

Isomeric SMILES

CC1=C(C=C(N1C)C#N)/C=C/C2=NC3=C(S2)C=CC4=CC=CC=C43

InChI

InChI=1S/C20H15N3S/c1-13-15(11-16(12-21)23(13)2)8-10-19-22-20-17-6-4-3-5-14(17)7-9-18(20)24-19/h3-11H,1-2H3/b10-8+