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

Systemtic Name: 2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4H-1,3,4-benzoxadiazepin-5-one Openeye Name: 2-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4H-1,3,4-benzoxadiazepin-5-one CAS Name: 2-[[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]methyl]-4H-1,3,4-benzoxadiazepin-5-one IUPAC Name: 2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4H-1,3,4-benzoxadiazepin-5-one Traditional Name: 2-[[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)thio]methyl]-4H-1,3,4-benzoxadiazepin-5-one Formula: C20H17N5O2S MolecularWeight: 391.44628

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC2=NNC(=O)C3=CC=CC=C3O2)C4=CC=CC=C4

Isomeric SMILES

C=CCN1C(=NN=C1SCC2=NNC(=O)C3=CC=CC=C3O2)C4=CC=CC=C4

InChI

InChI=1S/C20H17N5O2S/c1-2-12-25-18(14-8-4-3-5-9-14)22-24-20(25)28-13-17-21-23-19(26)15-10-6-7-11-16(15)27-17/h2-11H,1,12-13H2,(H,23,26)