1-(benzotriazol-1-yl)-3-(phenylmethyl)sulfonyl-propan-1-one

Systemtic Name: 1-(benzotriazol-1-yl)-3-(phenylmethyl)sulfonyl-propan-1-one Openeye Name: 1-(benzotriazol-1-yl)-3-benzylsulfonyl-propan-1-one CAS Name: 1-(1-benzotriazolyl)-3-(phenylmethyl)sulfonyl-1-propanone IUPAC Name: 1-(benzotriazol-1-yl)-3-benzylsulfonylpropan-1-one Traditional Name: 1-(benzotriazol-1-yl)-3-benzylsulfonyl-propan-1-one Formula: C16H15N3O3S MolecularWeight: 329.3736

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CS(=O)(=O)CCC(=O)N2C3=CC=CC=C3N=N2

Isomeric SMILES

C1=CC=C(C=C1)CS(=O)(=O)CCC(=O)N2C3=CC=CC=C3N=N2

InChI

InChI=1S/C16H15N3O3S/c20-16(19-15-9-5-4-8-14(15)17-18-19)10-11-23(21,22)12-13-6-2-1-3-7-13/h1-9H,10-12H2