2-[[5-(phenethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-propan-2-ylpyrazol-3-yl)ethanamide

Systemtic Name: 2-[[5-(phenethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-propan-2-ylpyrazol-3-yl)ethanamide Openeye Name: N-(2-isopropylpyrazol-3-yl)-2-[[5-(phenethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide CAS Name: 2-[[5-(phenethylamino)-1,3,4-thiadiazol-2-yl]thio]-N-(2-propan-2-yl-3-pyrazolyl)acetamide IUPAC Name: 2-[[5-(phenethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide Traditional Name: N-(2-isopropylpyrazol-3-yl)-2-[[5-(phenethylamino)-1,3,4-thiadiazol-2-yl]thio]acetamide Formula: C18H22N6OS2 MolecularWeight: 402.53688

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=CC=N1)NC(=O)CSC2=NN=C(S2)NCCC3=CC=CC=C3

Isomeric SMILES

CC(C)N1C(=CC=N1)NC(=O)CSC2=NN=C(S2)NCCC3=CC=CC=C3

InChI

InChI=1S/C18H22N6OS2/c1-13(2)24-15(9-11-20-24)21-16(25)12-26-18-23-22-17(27-18)19-10-8-14-6-4-3-5-7-14/h3-7,9,11,13H,8,10,12H2,1-2H3,(H,19,22)(H,21,25)