2-[5-[2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]thiophen-2-yl]ethanamide

Systemtic Name: 2-[5-[2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]thiophen-2-yl]ethanamide Openeye Name: 2-[5-[2-[[4-cyclopropyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-2-thienyl]acetamide CAS Name: 2-[5-[2-[[4-cyclopropyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-1-oxoethyl]-2-thiophenyl]acetamide IUPAC Name: 2-[5-[2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]thiophen-2-yl]acetamide Traditional Name: 2-[5-[2-[[4-cyclopropyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]acetyl]-2-thienyl]acetamide Formula: C18H17N5O2S2 MolecularWeight: 399.48988

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=C2SCC(=O)C3=CC=C(S3)CC(=O)N)C4=CN=CC=C4

Isomeric SMILES

C1CC1N2C(=NN=C2SCC(=O)C3=CC=C(S3)CC(=O)N)C4=CN=CC=C4

InChI

InChI=1S/C18H17N5O2S2/c19-16(25)8-13-5-6-15(27-13)14(24)10-26-18-22-21-17(23(18)12-3-4-12)11-2-1-7-20-9-11/h1-2,5-7,9,12H,3-4,8,10H2,(H2,19,25)