2-(1,3-benzoxazol-2-ylsulfanyl)-N-[3-cyano-4,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-2-yl]ethanamide

Systemtic Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[3-cyano-4,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-2-yl]ethanamide Openeye Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[3-cyano-4,5-dimethyl-1-(2-thienylmethyl)pyrrol-2-yl]acetamide CAS Name: 2-(1,3-benzoxazol-2-ylthio)-N-[3-cyano-4,5-dimethyl-1-(thiophen-2-ylmethyl)-2-pyrrolyl]acetamide IUPAC Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[3-cyano-4,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-2-yl]acetamide Traditional Name: 2-(1,3-benzoxazol-2-ylthio)-N-[3-cyano-4,5-dimethyl-1-(2-thenyl)pyrrol-2-yl]acetamide Formula: C21H18N4O2S2 MolecularWeight: 422.52322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)CSC2=NC3=CC=CC=C3O2)CC4=CC=CS4)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)CSC2=NC3=CC=CC=C3O2)CC4=CC=CS4)C

InChI

InChI=1S/C21H18N4O2S2/c1-13-14(2)25(11-15-6-5-9-28-15)20(16(13)10-22)24-19(26)12-29-21-23-17-7-3-4-8-18(17)27-21/h3-9H,11-12H2,1-2H3,(H,24,26)