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

Systemtic Name: N-[4-[2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]phenyl]-3-methyl-butanamide Openeye Name: N-[4-[2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]phenyl]-3-methyl-butanamide CAS Name: N-[4-[2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]phenyl]-3-methylbutanamide IUPAC Name: N-[4-[2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]phenyl]-3-methylbutanamide Traditional Name: N-[4-[2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)thio]acetyl]phenyl]-3-methyl-butyramide Formula: C20H26N4O2S MolecularWeight: 386.51104

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)NC(=O)CC(C)C)C3CC3

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)NC(=O)CC(C)C)C3CC3

InChI

InChI=1S/C20H26N4O2S/c1-4-24-19(15-5-6-15)22-23-20(24)27-12-17(25)14-7-9-16(10-8-14)21-18(26)11-13(2)3/h7-10,13,15H,4-6,11-12H2,1-3H3,(H,21,26)