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

Systemtic Name: N-[4-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-1,3-thiazol-2-yl]-4-methyl-3-nitro-benzamide Openeye Name: N-[4-(1-allyl-2,5-dimethyl-pyrrol-3-yl)thiazol-2-yl]-4-methyl-3-nitro-benzamide CAS Name: N-[4-(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)-2-thiazolyl]-4-methyl-3-nitrobenzamide IUPAC Name: N-[4-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-1,3-thiazol-2-yl]-4-methyl-3-nitrobenzamide Traditional Name: N-[4-(1-allyl-2,5-dimethyl-pyrrol-3-yl)thiazol-2-yl]-4-methyl-3-nitro-benzamide Formula: C20H20N4O3S MolecularWeight: 396.4628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=NC(=CS2)C3=C(N(C(=C3)C)CC=C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=NC(=CS2)C3=C(N(C(=C3)C)CC=C)C)[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O3S/c1-5-8-23-13(3)9-16(14(23)4)17-11-28-20(21-17)22-19(25)15-7-6-12(2)18(10-15)24(26)27/h5-7,9-11H,1,8H2,2-4H3,(H,21,22,25)