4-[(6-methylsulfonylbenzotriazol-1-yl)oxymethyl]benzenecarbonitrile

Systemtic Name: 4-[(6-methylsulfonylbenzotriazol-1-yl)oxymethyl]benzenecarbonitrile Openeye Name: 4-[(6-methylsulfonylbenzotriazol-1-yl)oxymethyl]benzonitrile CAS Name: 4-[(6-methylsulfonyl-1-benzotriazolyl)oxymethyl]benzonitrile IUPAC Name: 4-[(6-methylsulfonylbenzotriazol-1-yl)oxymethyl]benzonitrile Traditional Name: 4-[(6-mesylbenzotriazol-1-yl)oxymethyl]benzonitrile Formula: C15H12N4O3S MolecularWeight: 328.34578

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C=C1)N=NN2OCC3=CC=C(C=C3)C#N

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)N=NN2OCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C15H12N4O3S/c1-23(20,21)13-6-7-14-15(8-13)19(18-17-14)22-10-12-4-2-11(9-16)3-5-12/h2-8H,10H2,1H3