2-[4-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-1,3-thiazol-2-yl]ethanenitrile

Systemtic Name: 2-[4-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-1,3-thiazol-2-yl]ethanenitrile Openeye Name: 2-[4-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]thiazol-2-yl]acetonitrile CAS Name: 2-[4-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-3-pyrrolyl]-2-thiazolyl]acetonitrile IUPAC Name: 2-[4-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethylpyrrol-3-yl]-1,3-thiazol-2-yl]acetonitrile Traditional Name: 2-[4-(2,5-dimethyl-1-piperonyl-pyrrol-3-yl)thiazol-2-yl]acetonitrile Formula: C19H17N3O2S MolecularWeight: 351.42218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC3=C(C=C2)OCO3)C)C4=CSC(=N4)CC#N

Isomeric SMILES

CC1=CC(=C(N1CC2=CC3=C(C=C2)OCO3)C)C4=CSC(=N4)CC#N

InChI

InChI=1S/C19H17N3O2S/c1-12-7-15(16-10-25-19(21-16)5-6-20)13(2)22(12)9-14-3-4-17-18(8-14)24-11-23-17/h3-4,7-8,10H,5,9,11H2,1-2H3