2-[(4-butyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(3,4-dihydro-2H-chromen-4-yl)ethanamide

Systemtic Name: 2-[(4-butyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(3,4-dihydro-2H-chromen-4-yl)ethanamide Openeye Name: 2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-chroman-4-yl-acetamide CAS Name: 2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)thio]-N-(3,4-dihydro-2H-1-benzopyran-4-yl)acetamide IUPAC Name: 2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(3,4-dihydro-2H-chromen-4-yl)acetamide Traditional Name: 2-[(4-butyl-5-keto-1H-1,2,4-triazol-3-yl)thio]-N-chroman-4-yl-acetamide Formula: C17H22N4O3S MolecularWeight: 362.44658

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)NN=C1SCC(=O)NC2CCOC3=CC=CC=C23

Isomeric SMILES

CCCCN1C(=O)NN=C1SCC(=O)NC2CCOC3=CC=CC=C23

InChI

InChI=1S/C17H22N4O3S/c1-2-3-9-21-16(23)19-20-17(21)25-11-15(22)18-13-8-10-24-14-7-5-4-6-12(13)14/h4-7,13H,2-3,8-11H2,1H3,(H,18,22)(H,19,23)