N-(2-methoxyethyl)-2-[(3-methylphenyl)methylsulfanyl]-N-(1H-1,2,4-triazol-5-yl)pentanamide

Systemtic Name: N-(2-methoxyethyl)-2-[(3-methylphenyl)methylsulfanyl]-N-(1H-1,2,4-triazol-5-yl)pentanamide Openeye Name: N-(2-methoxyethyl)-2-(m-tolylmethylsulfanyl)-N-(1H-1,2,4-triazol-5-yl)pentanamide CAS Name: N-(2-methoxyethyl)-2-[(3-methylphenyl)methylthio]-N-(1H-1,2,4-triazol-5-yl)pentanamide IUPAC Name: N-(2-methoxyethyl)-2-[(3-methylphenyl)methylsulfanyl]-N-(1H-1,2,4-triazol-5-yl)pentanamide Traditional Name: N-(2-methoxyethyl)-2-[(3-methylbenzyl)thio]-N-(1H-1,2,4-triazol-5-yl)valeramide Formula: C18H26N4O2S MolecularWeight: 362.48964

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)N(CCOC)C1=NC=NN1)SCC2=CC=CC(=C2)C

Isomeric SMILES

CCCC(C(=O)N(CCOC)C1=NC=NN1)SCC2=CC=CC(=C2)C

InChI

InChI=1S/C18H26N4O2S/c1-4-6-16(25-12-15-8-5-7-14(2)11-15)17(23)22(9-10-24-3)18-19-13-20-21-18/h5,7-8,11,13,16H,4,6,9-10,12H2,1-3H3,(H,19,20,21)