4,4-dimethyl-6-[4-(1H-1,2,4-triazol-5-ylsulfanyl)butoxy]-1H-3,1-benzoxazin-2-one

Systemtic Name: 4,4-dimethyl-6-[4-(1H-1,2,4-triazol-5-ylsulfanyl)butoxy]-1H-3,1-benzoxazin-2-one Openeye Name: 4,4-dimethyl-6-[4-(1H-1,2,4-triazol-5-ylsulfanyl)butoxy]-1H-3,1-benzoxazin-2-one CAS Name: 4,4-dimethyl-6-[4-(1H-1,2,4-triazol-5-ylthio)butoxy]-1H-3,1-benzoxazin-2-one IUPAC Name: 4,4-dimethyl-6-[4-(1H-1,2,4-triazol-5-ylsulfanyl)butoxy]-1H-3,1-benzoxazin-2-one Traditional Name: 4,4-dimethyl-6-[4-(1H-1,2,4-triazol-5-ylthio)butoxy]-1H-3,1-benzoxazin-2-one Formula: C16H20N4O3S MolecularWeight: 348.42

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C=CC(=C2)OCCCCSC3=NC=NN3)NC(=O)O1)C

Isomeric SMILES

CC1(C2=C(C=CC(=C2)OCCCCSC3=NC=NN3)NC(=O)O1)C

InChI

InChI=1S/C16H20N4O3S/c1-16(2)12-9-11(5-6-13(12)19-15(21)23-16)22-7-3-4-8-24-14-17-10-18-20-14/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,19,21)(H,17,18,20)