N-[4-[2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]phenyl]-3-methyl-butanamide

Systemtic Name: N-[4-[2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]phenyl]-3-methyl-butanamide Openeye Name: N-[4-[2-[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]phenyl]-3-methyl-butanamide CAS Name: N-[4-[2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]phenyl]-3-methylbutanamide IUPAC Name: N-[4-[2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]phenyl]-3-methylbutanamide Traditional Name: N-[4-[2-[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]acetyl]phenyl]-3-methyl-butyramide Formula: C21H24N4O2S2 MolecularWeight: 428.57086

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)NC(=O)CC(C)C)C3=CC=CS3

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)NC(=O)CC(C)C)C3=CC=CS3

InChI

InChI=1S/C21H24N4O2S2/c1-4-25-20(18-6-5-11-28-18)23-24-21(25)29-13-17(26)15-7-9-16(10-8-15)22-19(27)12-14(2)3/h5-11,14H,4,12-13H2,1-3H3,(H,22,27)