N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-(phenoxymethyl)pyrazole-3-carboxamide

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-(phenoxymethyl)pyrazole-3-carboxamide Openeye Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-1-(phenoxymethyl)pyrazole-3-carboxamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-(phenoxymethyl)-3-pyrazolecarboxamide IUPAC Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-(phenoxymethyl)pyrazole-3-carboxamide Traditional Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-1-(phenoxymethyl)pyrazole-3-carboxamide Formula: C20H18N4O2S MolecularWeight: 378.44752

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=NN(C=C3)COC4=CC=CC=C4)C#N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=NN(C=C3)COC4=CC=CC=C4)C#N

InChI

InChI=1S/C20H18N4O2S/c21-12-16-15-8-4-5-9-18(15)27-20(16)22-19(25)17-10-11-24(23-17)13-26-14-6-2-1-3-7-14/h1-3,6-7,10-11H,4-5,8-9,13H2,(H,22,25)