4-[2-[(4-butyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Systemtic Name: 4-[2-[(4-butyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: 4-[2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: 4-[2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)thio]-1-oxoethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: 4-[2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: 4-[2-[(4-butyl-5-keto-1H-1,2,4-triazol-3-yl)thio]acetyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C17H21N5O4S MolecularWeight: 391.44474

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)NN=C1SCC(=O)N2CC(OC3=CC=CC=C32)C(=O)N

Isomeric SMILES

CCCCN1C(=O)NN=C1SCC(=O)N2CC(OC3=CC=CC=C32)C(=O)N

InChI

InChI=1S/C17H21N5O4S/c1-2-3-8-21-16(25)19-20-17(21)27-10-14(23)22-9-13(15(18)24)26-12-7-5-4-6-11(12)22/h4-7,13H,2-3,8-10H2,1H3,(H2,18,24)(H,19,25)