3-[3-cyclopropyl-5-[2-oxidanylidene-2-[(3-propan-2-ylphenyl)amino]ethyl]sulfanyl-1,2,4-triazol-4-yl]propanamide

Systemtic Name: 3-[3-cyclopropyl-5-[2-oxidanylidene-2-[(3-propan-2-ylphenyl)amino]ethyl]sulfanyl-1,2,4-triazol-4-yl]propanamide Openeye Name: 3-[3-cyclopropyl-5-[2-(3-isopropylanilino)-2-oxo-ethyl]sulfanyl-1,2,4-triazol-4-yl]propanamide CAS Name: 3-[3-cyclopropyl-5-[[2-oxo-2-(3-propan-2-ylanilino)ethyl]thio]-1,2,4-triazol-4-yl]propanamide IUPAC Name: 3-[3-cyclopropyl-5-[2-oxo-2-(3-propan-2-ylanilino)ethyl]sulfanyl-1,2,4-triazol-4-yl]propanamide Traditional Name: 3-[3-cyclopropyl-5-[[2-(3-isopropylanilino)-2-keto-ethyl]thio]-1,2,4-triazol-4-yl]propionamide Formula: C19H25N5O2S MolecularWeight: 387.4991

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=CC=C1)NC(=O)CSC2=NN=C(N2CCC(=O)N)C3CC3

Isomeric SMILES

CC(C)C1=CC(=CC=C1)NC(=O)CSC2=NN=C(N2CCC(=O)N)C3CC3

InChI

InChI=1S/C19H25N5O2S/c1-12(2)14-4-3-5-15(10-14)21-17(26)11-27-19-23-22-18(13-6-7-13)24(19)9-8-16(20)25/h3-5,10,12-13H,6-9,11H2,1-2H3,(H2,20,25)(H,21,26)