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

Systemtic Name: 4,4-dimethyl-6-[3-sulfanyl-4-(1,2,4-triazol-1-yl)butoxy]-1H-3,1-benzoxazin-2-one Openeye Name: 4,4-dimethyl-6-[3-sulfanyl-4-(1,2,4-triazol-1-yl)butoxy]-1H-3,1-benzoxazin-2-one CAS Name: 6-[3-mercapto-4-(1,2,4-triazol-1-yl)butoxy]-4,4-dimethyl-1H-3,1-benzoxazin-2-one IUPAC Name: 4,4-dimethyl-6-[3-sulfanyl-4-(1,2,4-triazol-1-yl)butoxy]-1H-3,1-benzoxazin-2-one Traditional Name: 6-[3-mercapto-4-(1,2,4-triazol-1-yl)butoxy]-4,4-dimethyl-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)OCCC(CN3C=NC=N3)S)NC(=O)O1)C

Isomeric SMILES

CC1(C2=C(C=CC(=C2)OCCC(CN3C=NC=N3)S)NC(=O)O1)C

InChI

InChI=1S/C16H20N4O3S/c1-16(2)13-7-11(3-4-14(13)19-15(21)23-16)22-6-5-12(24)8-20-10-17-9-18-20/h3-4,7,9-10,12,24H,5-6,8H2,1-2H3,(H,19,21)