2-[[4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methylbutylcarbamoyl)ethanamide

Systemtic Name: 2-[[4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methylbutylcarbamoyl)ethanamide Openeye Name: 2-[[4-cyclopropyl-5-(2-thienylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(isopentylcarbamoyl)acetamide CAS Name: 2-[[4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]-N-[(3-methylbutylamino)-oxomethyl]acetamide IUPAC Name: 2-[[4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methylbutylcarbamoyl)acetamide Traditional Name: 2-[[4-cyclopropyl-5-(2-thenyl)-1,2,4-triazol-3-yl]thio]-N-(isoamylcarbamoyl)acetamide Formula: C18H25N5O2S2 MolecularWeight: 407.5534

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)NC(=O)CSC1=NN=C(N1C2CC2)CC3=CC=CS3

Isomeric SMILES

CC(C)CCNC(=O)NC(=O)CSC1=NN=C(N1C2CC2)CC3=CC=CS3

InChI

InChI=1S/C18H25N5O2S2/c1-12(2)7-8-19-17(25)20-16(24)11-27-18-22-21-15(23(18)13-5-6-13)10-14-4-3-9-26-14/h3-4,9,12-13H,5-8,10-11H2,1-2H3,(H2,19,20,24,25)