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

Systemtic Name: 3-[3-[2-oxidanylidene-2-[(3-propan-2-ylphenyl)amino]ethyl]sulfanyl-5-thiophen-2-yl-1,2,4-triazol-4-yl]propanamide Openeye Name: 3-[3-[2-(3-isopropylanilino)-2-oxo-ethyl]sulfanyl-5-(2-thienyl)-1,2,4-triazol-4-yl]propanamide CAS Name: 3-[3-[[2-oxo-2-(3-propan-2-ylanilino)ethyl]thio]-5-thiophen-2-yl-1,2,4-triazol-4-yl]propanamide IUPAC Name: 3-[3-[2-oxo-2-(3-propan-2-ylanilino)ethyl]sulfanyl-5-thiophen-2-yl-1,2,4-triazol-4-yl]propanamide Traditional Name: 3-[3-[[2-(3-isopropylanilino)-2-keto-ethyl]thio]-5-(2-thienyl)-1,2,4-triazol-4-yl]propionamide Formula: C20H23N5O2S2 MolecularWeight: 429.55892

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=CC=C1)NC(=O)CSC2=NN=C(N2CCC(=O)N)C3=CC=CS3

Isomeric SMILES

CC(C)C1=CC(=CC=C1)NC(=O)CSC2=NN=C(N2CCC(=O)N)C3=CC=CS3

InChI

InChI=1S/C20H23N5O2S2/c1-13(2)14-5-3-6-15(11-14)22-18(27)12-29-20-24-23-19(16-7-4-10-28-16)25(20)9-8-17(21)26/h3-7,10-11,13H,8-9,12H2,1-2H3,(H2,21,26)(H,22,27)