3-[3-[2-(3-methyl-4-propan-2-yl-phenoxy)ethylsulfanyl]-5-thiophen-2-yl-1,2,4-triazol-4-yl]propanamide

Systemtic Name: 3-[3-[2-(3-methyl-4-propan-2-yl-phenoxy)ethylsulfanyl]-5-thiophen-2-yl-1,2,4-triazol-4-yl]propanamide Openeye Name: 3-[3-[2-(4-isopropyl-3-methyl-phenoxy)ethylsulfanyl]-5-(2-thienyl)-1,2,4-triazol-4-yl]propanamide CAS Name: 3-[3-[2-(3-methyl-4-propan-2-ylphenoxy)ethylthio]-5-thiophen-2-yl-1,2,4-triazol-4-yl]propanamide IUPAC Name: 3-[3-[2-(3-methyl-4-propan-2-ylphenoxy)ethylsulfanyl]-5-thiophen-2-yl-1,2,4-triazol-4-yl]propanamide Traditional Name: 3-[3-[2-(4-isopropyl-3-methyl-phenoxy)ethylthio]-5-(2-thienyl)-1,2,4-triazol-4-yl]propionamide Formula: C21H26N4O2S2 MolecularWeight: 430.58674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCCSC2=NN=C(N2CCC(=O)N)C3=CC=CS3)C(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)OCCSC2=NN=C(N2CCC(=O)N)C3=CC=CS3)C(C)C

InChI

InChI=1S/C21H26N4O2S2/c1-14(2)17-7-6-16(13-15(17)3)27-10-12-29-21-24-23-20(18-5-4-11-28-18)25(21)9-8-19(22)26/h4-7,11,13-14H,8-10,12H2,1-3H3,(H2,22,26)