2-[(2-aminophenyl)sulfanylmethyl]-4H-1,3,4-benzoxadiazepin-5-one

Systemtic Name: 2-[(2-aminophenyl)sulfanylmethyl]-4H-1,3,4-benzoxadiazepin-5-one Openeye Name: 2-[(2-aminophenyl)sulfanylmethyl]-4H-1,3,4-benzoxadiazepin-5-one CAS Name: 2-[[(2-aminophenyl)thio]methyl]-4H-1,3,4-benzoxadiazepin-5-one IUPAC Name: 2-[(2-aminophenyl)sulfanylmethyl]-4H-1,3,4-benzoxadiazepin-5-one Traditional Name: 2-[[(2-aminophenyl)thio]methyl]-4H-1,3,4-benzoxadiazepin-5-one Formula: C15H13N3O2S MolecularWeight: 299.34762

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)NN=C(O2)CSC3=CC=CC=C3N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)NN=C(O2)CSC3=CC=CC=C3N

InChI

InChI=1S/C15H13N3O2S/c16-11-6-2-4-8-13(11)21-9-14-17-18-15(19)10-5-1-3-7-12(10)20-14/h1-8H,9,16H2,(H,18,19)