6-[2-[(1-cyclopropyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanoyl]-4H-1,4-benzoxazin-3-one

Systemtic Name: 6-[2-[(1-cyclopropyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanoyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[2-[(1-cyclopropyl-5-tetrazolyl)thio]-1-oxoethyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[2-[(1-cyclopropyltetrazol-5-yl)thio]acetyl]-4H-1,4-benzoxazin-3-one Formula: C14H13N5O3S MolecularWeight: 331.34972

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=N2)SCC(=O)C3=CC4=C(C=C3)OCC(=O)N4

Isomeric SMILES

C1CC1N2C(=NN=N2)SCC(=O)C3=CC4=C(C=C3)OCC(=O)N4

InChI

InChI=1S/C14H13N5O3S/c20-11(7-23-14-16-17-18-19(14)9-2-3-9)8-1-4-12-10(5-8)15-13(21)6-22-12/h1,4-5,9H,2-3,6-7H2,(H,15,21)