6-[2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]-4H-1,4-benzoxazin-3-one

Systemtic Name: 6-[2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[2-[(4-allyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[2-[(4-allyl-5-methyl-1,2,4-triazol-3-yl)thio]acetyl]-4H-1,4-benzoxazin-3-one Formula: C16H16N4O3S MolecularWeight: 344.38824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1CC=C)SCC(=O)C2=CC3=C(C=C2)OCC(=O)N3

Isomeric SMILES

CC1=NN=C(N1CC=C)SCC(=O)C2=CC3=C(C=C2)OCC(=O)N3

InChI

InChI=1S/C16H16N4O3S/c1-3-6-20-10(2)18-19-16(20)24-9-13(21)11-4-5-14-12(7-11)17-15(22)8-23-14/h3-5,7H,1,6,8-9H2,2H3,(H,17,22)