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

Systemtic Name: N-[4-[2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]phenyl]-3-methyl-butanamide Openeye Name: N-[4-[2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]phenyl]-3-methyl-butanamide CAS Name: N-[4-[2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]phenyl]-3-methylbutanamide IUPAC Name: N-[4-[2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]phenyl]-3-methylbutanamide Traditional Name: N-[4-[2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]acetyl]phenyl]-3-methyl-butyramide Formula: C23H26N4O2S MolecularWeight: 422.54314

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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=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C23H26N4O2S/c1-4-27-22(18-8-6-5-7-9-18)25-26-23(27)30-15-20(28)17-10-12-19(13-11-17)24-21(29)14-16(2)3/h5-13,16H,4,14-15H2,1-3H3,(H,24,29)