N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(1,3-dimethylpyrazol-4-yl)methyl-methyl-amino]ethanamide

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(1,3-dimethylpyrazol-4-yl)methyl-methyl-amino]ethanamide Openeye Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-[(1,3-dimethylpyrazol-4-yl)methyl-methyl-amino]acetamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(1,3-dimethyl-4-pyrazolyl)methyl-methylamino]acetamide IUPAC Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(1,3-dimethylpyrazol-4-yl)methyl-methylamino]acetamide Traditional Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-[(1,3-dimethylpyrazol-4-yl)methyl-methyl-amino]acetamide Formula: C18H23N5OS MolecularWeight: 357.47312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1CN(C)CC(=O)NC2=C(C3=C(S2)CCCC3)C#N)C

Isomeric SMILES

CC1=NN(C=C1CN(C)CC(=O)NC2=C(C3=C(S2)CCCC3)C#N)C

InChI

InChI=1S/C18H23N5OS/c1-12-13(10-23(3)21-12)9-22(2)11-17(24)20-18-15(8-19)14-6-4-5-7-16(14)25-18/h10H,4-7,9,11H2,1-3H3,(H,20,24)