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

Systemtic Name: 4-chloranyl-N-[4-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-1,3-thiazol-2-yl]-3-nitro-benzamide Openeye Name: N-[4-(1-allyl-2,5-dimethyl-pyrrol-3-yl)thiazol-2-yl]-4-chloro-3-nitro-benzamide CAS Name: 4-chloro-N-[4-(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)-2-thiazolyl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[4-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-1,3-thiazol-2-yl]-3-nitrobenzamide Traditional Name: N-[4-(1-allyl-2,5-dimethyl-pyrrol-3-yl)thiazol-2-yl]-4-chloro-3-nitro-benzamide Formula: C19H17ClN4O3S MolecularWeight: 416.88128

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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)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(N1CC=C)C)C2=CSC(=N2)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H17ClN4O3S/c1-4-7-23-11(2)8-14(12(23)3)16-10-28-19(21-16)22-18(25)13-5-6-15(20)17(9-13)24(26)27/h4-6,8-10H,1,7H2,2-3H3,(H,21,22,25)