N-[3-(3-azanyl-4-cyano-1H-pyrazol-5-yl)propyl]-3-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1-benzofuran-2-carboxamide

Systemtic Name: N-[3-(3-azanyl-4-cyano-1H-pyrazol-5-yl)propyl]-3-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1-benzofuran-2-carboxamide Openeye Name: N-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propyl]-3-[(4-methylthiazol-2-yl)sulfanylmethyl]benzofuran-2-carboxamide CAS Name: N-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propyl]-3-[[(4-methyl-2-thiazolyl)thio]methyl]-2-benzofurancarboxamide IUPAC Name: N-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propyl]-3-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1-benzofuran-2-carboxamide Traditional Name: N-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propyl]-3-[[(4-methylthiazol-2-yl)thio]methyl]coumarilamide Formula: C21H20N6O2S2 MolecularWeight: 452.5525

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)SCC2=C(OC3=CC=CC=C32)C(=O)NCCCC4=C(C(=NN4)N)C#N

Isomeric SMILES

CC1=CSC(=N1)SCC2=C(OC3=CC=CC=C32)C(=O)NCCCC4=C(C(=NN4)N)C#N

InChI

InChI=1S/C21H20N6O2S2/c1-12-10-30-21(25-12)31-11-15-13-5-2-3-7-17(13)29-18(15)20(28)24-8-4-6-16-14(9-22)19(23)27-26-16/h2-3,5,7,10H,4,6,8,11H2,1H3,(H,24,28)(H3,23,26,27)