2-cyano-3-[2,5-dimethyl-1-[4-(4-nitrophenyl)sulfanylphenyl]pyrrol-3-yl]-N-(thiophen-2-ylmethyl)prop-2-enamide

Systemtic Name: 2-cyano-3-[2,5-dimethyl-1-[4-(4-nitrophenyl)sulfanylphenyl]pyrrol-3-yl]-N-(thiophen-2-ylmethyl)prop-2-enamide Openeye Name: 2-cyano-3-[2,5-dimethyl-1-[4-(4-nitrophenyl)sulfanylphenyl]pyrrol-3-yl]-N-(2-thienylmethyl)prop-2-enamide CAS Name: 2-cyano-3-[2,5-dimethyl-1-[4-[(4-nitrophenyl)thio]phenyl]-3-pyrrolyl]-N-(thiophen-2-ylmethyl)-2-propenamide IUPAC Name: 2-cyano-3-[2,5-dimethyl-1-[4-(4-nitrophenyl)sulfanylphenyl]pyrrol-3-yl]-N-(thiophen-2-ylmethyl)prop-2-enamide Traditional Name: 2-cyano-3-[2,5-dimethyl-1-[4-[(4-nitrophenyl)thio]phenyl]pyrrol-3-yl]-N-(2-thenyl)acrylamide Formula: C27H22N4O3S2 MolecularWeight: 514.61858

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)SC3=CC=C(C=C3)[N+](=O)[O-])C)C=C(C#N)C(=O)NCC4=CC=CS4

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)SC3=CC=C(C=C3)[N+](=O)[O-])C)C=C(C#N)C(=O)NCC4=CC=CS4

InChI

InChI=1S/C27H22N4O3S2/c1-18-14-20(15-21(16-28)27(32)29-17-26-4-3-13-35-26)19(2)30(18)22-5-9-24(10-6-22)36-25-11-7-23(8-12-25)31(33)34/h3-15H,17H2,1-2H3,(H,29,32)