2-[3-(1,3-benzodioxol-5-yliminomethyl)-2,5-dimethyl-pyrrol-1-yl]-4,5-dimethyl-thiophene-3-carbonitrile

Systemtic Name: 2-[3-(1,3-benzodioxol-5-yliminomethyl)-2,5-dimethyl-pyrrol-1-yl]-4,5-dimethyl-thiophene-3-carbonitrile Openeye Name: 2-[3-(1,3-benzodioxol-5-yliminomethyl)-2,5-dimethyl-pyrrol-1-yl]-4,5-dimethyl-thiophene-3-carbonitrile CAS Name: 2-[3-(1,3-benzodioxol-5-yliminomethyl)-2,5-dimethyl-1-pyrrolyl]-4,5-dimethyl-3-thiophenecarbonitrile IUPAC Name: 2-[3-(1,3-benzodioxol-5-yliminomethyl)-2,5-dimethylpyrrol-1-yl]-4,5-dimethylthiophene-3-carbonitrile Traditional Name: 2-[3-(1,3-benzodioxol-5-yliminomethyl)-2,5-dimethyl-pyrrol-1-yl]-4,5-dimethyl-thiophene-3-carbonitrile Formula: C21H19N3O2S MolecularWeight: 377.45946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=C(C(=C(S2)C)C)C#N)C)C=NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC(=C(N1C2=C(C(=C(S2)C)C)C#N)C)C=NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H19N3O2S/c1-12-7-16(10-23-17-5-6-19-20(8-17)26-11-25-19)14(3)24(12)21-18(9-22)13(2)15(4)27-21/h5-8,10H,11H2,1-4H3