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

Systemtic Name: N-[4-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-1,3-thiazol-2-yl]-5-nitro-thiophene-2-carboxamide Openeye Name: N-[4-(1-allyl-2,5-dimethyl-pyrrol-3-yl)thiazol-2-yl]-5-nitro-thiophene-2-carboxamide CAS Name: N-[4-(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)-2-thiazolyl]-5-nitro-2-thiophenecarboxamide IUPAC Name: N-[4-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-1,3-thiazol-2-yl]-5-nitrothiophene-2-carboxamide Traditional Name: N-[4-(1-allyl-2,5-dimethyl-pyrrol-3-yl)thiazol-2-yl]-5-nitro-thiophene-2-carboxamide Formula: C17H16N4O3S2 MolecularWeight: 388.46394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC=C)C)C2=CSC(=N2)NC(=O)C3=CC=C(S3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(N1CC=C)C)C2=CSC(=N2)NC(=O)C3=CC=C(S3)[N+](=O)[O-]

InChI

InChI=1S/C17H16N4O3S2/c1-4-7-20-10(2)8-12(11(20)3)13-9-25-17(18-13)19-16(22)14-5-6-15(26-14)21(23)24/h4-6,8-9H,1,7H2,2-3H3,(H,18,19,22)