5-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

Systemtic Name: 5-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Openeye Name: 5-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide CAS Name: 5-methyl-N-[(1-phenyl-4-pyrazolyl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide IUPAC Name: 5-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Traditional Name: 5-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide Formula: C20H21N3OS MolecularWeight: 351.46524

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C=C(S2)C(=O)NCC3=CN(N=C3)C4=CC=CC=C4

Isomeric SMILES

CC1CCC2=C(C1)C=C(S2)C(=O)NCC3=CN(N=C3)C4=CC=CC=C4

InChI

InChI=1S/C20H21N3OS/c1-14-7-8-18-16(9-14)10-19(25-18)20(24)21-11-15-12-22-23(13-15)17-5-3-2-4-6-17/h2-6,10,12-14H,7-9,11H2,1H3,(H,21,24)