3-[3-[(2,5-dimethylphenyl)methylsulfanyl]-5-thiophen-2-yl-1,2,4-triazol-4-yl]propanamide

Systemtic Name: 3-[3-[(2,5-dimethylphenyl)methylsulfanyl]-5-thiophen-2-yl-1,2,4-triazol-4-yl]propanamide Openeye Name: 3-[3-[(2,5-dimethylphenyl)methylsulfanyl]-5-(2-thienyl)-1,2,4-triazol-4-yl]propanamide CAS Name: 3-[3-[(2,5-dimethylphenyl)methylthio]-5-thiophen-2-yl-1,2,4-triazol-4-yl]propanamide IUPAC Name: 3-[3-[(2,5-dimethylphenyl)methylsulfanyl]-5-thiophen-2-yl-1,2,4-triazol-4-yl]propanamide Traditional Name: 3-[3-[(2,5-dimethylbenzyl)thio]-5-(2-thienyl)-1,2,4-triazol-4-yl]propionamide Formula: C18H20N4OS2 MolecularWeight: 372.5076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CSC2=NN=C(N2CCC(=O)N)C3=CC=CS3

Isomeric SMILES

CC1=CC(=C(C=C1)C)CSC2=NN=C(N2CCC(=O)N)C3=CC=CS3

InChI

InChI=1S/C18H20N4OS2/c1-12-5-6-13(2)14(10-12)11-25-18-21-20-17(15-4-3-9-24-15)22(18)8-7-16(19)23/h3-6,9-10H,7-8,11H2,1-2H3,(H2,19,23)