N-[4-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-1,3-thiazol-2-yl]-4-methylsulfonyl-benzamide

Systemtic Name: N-[4-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-1,3-thiazol-2-yl]-4-methylsulfonyl-benzamide Openeye Name: N-[4-(1-allyl-2,5-dimethyl-pyrrol-3-yl)thiazol-2-yl]-4-methylsulfonyl-benzamide CAS Name: N-[4-(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)-2-thiazolyl]-4-methylsulfonylbenzamide IUPAC Name: N-[4-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-1,3-thiazol-2-yl]-4-methylsulfonylbenzamide Traditional Name: N-[4-(1-allyl-2,5-dimethyl-pyrrol-3-yl)thiazol-2-yl]-4-mesyl-benzamide Formula: C20H21N3O3S2 MolecularWeight: 415.52904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC=C)C)C2=CSC(=N2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CC1=CC(=C(N1CC=C)C)C2=CSC(=N2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C20H21N3O3S2/c1-5-10-23-13(2)11-17(14(23)3)18-12-27-20(21-18)22-19(24)15-6-8-16(9-7-15)28(4,25)26/h5-9,11-12H,1,10H2,2-4H3,(H,21,22,24)