N-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

Systemtic Name: N-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Openeye Name: N-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide CAS Name: N-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide IUPAC Name: N-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Traditional Name: N-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide Formula: C18H18N4O2S MolecularWeight: 354.42612

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(=NN2)NC(=O)C3=CC4=C(S3)CCCC4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=NN2)NC(=O)C3=CC4=C(S3)CCCC4

InChI

InChI=1S/C18H18N4O2S/c1-24-13-8-6-11(7-9-13)16-19-18(22-21-16)20-17(23)15-10-12-4-2-3-5-14(12)25-15/h6-10H,2-5H2,1H3,(H2,19,20,21,22,23)