2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4H-1,3,4-benzoxadiazepin-5-one

Systemtic Name: 2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4H-1,3,4-benzoxadiazepin-5-one Openeye Name: 2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4H-1,3,4-benzoxadiazepin-5-one CAS Name: 2-[[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)thio]methyl]-4H-1,3,4-benzoxadiazepin-5-one IUPAC Name: 2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4H-1,3,4-benzoxadiazepin-5-one Traditional Name: 2-[[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)thio]methyl]-4H-1,3,4-benzoxadiazepin-5-one Formula: C18H15N5O2S MolecularWeight: 365.409

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2=CC=CC=C2)SCC3=NNC(=O)C4=CC=CC=C4O3

Isomeric SMILES

CC1=NN=C(N1C2=CC=CC=C2)SCC3=NNC(=O)C4=CC=CC=C4O3

InChI

InChI=1S/C18H15N5O2S/c1-12-19-22-18(23(12)13-7-3-2-4-8-13)26-11-16-20-21-17(24)14-9-5-6-10-15(14)25-16/h2-10H,11H2,1H3,(H,21,24)