N-[(5-bromanylthiophen-2-yl)methyl]-2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-prop-2-enyl-ethanamide

Systemtic Name: N-[(5-bromanylthiophen-2-yl)methyl]-2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-prop-2-enyl-ethanamide Openeye Name: N-allyl-N-[(5-bromo-2-thienyl)methyl]-2-[[4-cyclopropyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-[(5-bromo-2-thiophenyl)methyl]-2-[[4-cyclopropyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-N-prop-2-enylacetamide IUPAC Name: N-[(5-bromothiophen-2-yl)methyl]-2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-prop-2-enylacetamide Traditional Name: N-allyl-N-[(5-bromo-2-thienyl)methyl]-2-[[4-cyclopropyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C20H20BrN5OS2 MolecularWeight: 490.4397

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN(CC1=CC=C(S1)Br)C(=O)CSC2=NN=C(N2C3CC3)C4=CN=CC=C4

Isomeric SMILES

C=CCN(CC1=CC=C(S1)Br)C(=O)CSC2=NN=C(N2C3CC3)C4=CN=CC=C4

InChI

InChI=1S/C20H20BrN5OS2/c1-2-10-25(12-16-7-8-17(21)29-16)18(27)13-28-20-24-23-19(26(20)15-5-6-15)14-4-3-9-22-11-14/h2-4,7-9,11,15H,1,5-6,10,12-13H2