2-[(3-azanyl-5-oxidanyl-phenyl)sulfanylmethyl]-4H-1,3,4-benzoxadiazepin-5-one

Systemtic Name: 2-[(3-azanyl-5-oxidanyl-phenyl)sulfanylmethyl]-4H-1,3,4-benzoxadiazepin-5-one Openeye Name: 2-[(3-amino-5-hydroxy-phenyl)sulfanylmethyl]-4H-1,3,4-benzoxadiazepin-5-one CAS Name: 2-[[(3-amino-5-hydroxyphenyl)thio]methyl]-4H-1,3,4-benzoxadiazepin-5-one IUPAC Name: 2-[(3-amino-5-hydroxyphenyl)sulfanylmethyl]-4H-1,3,4-benzoxadiazepin-5-one Traditional Name: 2-[[(3-amino-5-hydroxy-phenyl)thio]methyl]-4H-1,3,4-benzoxadiazepin-5-one Formula: C15H13N3O3S MolecularWeight: 315.34702

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)NN=C(O2)CSC3=CC(=CC(=C3)O)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)NN=C(O2)CSC3=CC(=CC(=C3)O)N

InChI

InChI=1S/C15H13N3O3S/c16-9-5-10(19)7-11(6-9)22-8-14-17-18-15(20)12-3-1-2-4-13(12)21-14/h1-7,19H,8,16H2,(H,18,20)