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

Systemtic Name: 2-[4-[1-(3,4-dimethylphenyl)-2,5-dimethyl-pyrrol-3-yl]-1,3-thiazol-2-yl]ethanenitrile Openeye Name: 2-[4-[1-(3,4-dimethylphenyl)-2,5-dimethyl-pyrrol-3-yl]thiazol-2-yl]acetonitrile CAS Name: 2-[4-[1-(3,4-dimethylphenyl)-2,5-dimethyl-3-pyrrolyl]-2-thiazolyl]acetonitrile IUPAC Name: 2-[4-[1-(3,4-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]-1,3-thiazol-2-yl]acetonitrile Traditional Name: 2-[4-[1-(3,4-dimethylphenyl)-2,5-dimethyl-pyrrol-3-yl]thiazol-2-yl]acetonitrile Formula: C19H19N3S MolecularWeight: 321.43926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=CC(=C2C)C3=CSC(=N3)CC#N)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=CC(=C2C)C3=CSC(=N3)CC#N)C)C

InChI

InChI=1S/C19H19N3S/c1-12-5-6-16(9-13(12)2)22-14(3)10-17(15(22)4)18-11-23-19(21-18)7-8-20/h5-6,9-11H,7H2,1-4H3