5-tert-butyl-N-[6-(1,2,4-triazol-1-yl)pyridin-3-yl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

Systemtic Name: 5-tert-butyl-N-[6-(1,2,4-triazol-1-yl)pyridin-3-yl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Openeye Name: 5-tert-butyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridyl]-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide CAS Name: 5-tert-butyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide IUPAC Name: 5-tert-butyl-N-[6-(1,2,4-triazol-1-yl)pyridin-3-yl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Traditional Name: 5-tert-butyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridyl]-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide Formula: C20H23N5OS MolecularWeight: 381.49452

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)C=C(S2)C(=O)NC3=CN=C(C=C3)N4C=NC=N4

Isomeric SMILES

CC(C)(C)C1CCC2=C(C1)C=C(S2)C(=O)NC3=CN=C(C=C3)N4C=NC=N4

InChI

InChI=1S/C20H23N5OS/c1-20(2,3)14-4-6-16-13(8-14)9-17(27-16)19(26)24-15-5-7-18(22-10-15)25-12-21-11-23-25/h5,7,9-12,14H,4,6,8H2,1-3H3,(H,24,26)