4-[5-(phenylmethyl)sulfonyl-1,3,4-thiadiazol-2-yl]benzenecarbonitrile

Systemtic Name: 4-[5-(phenylmethyl)sulfonyl-1,3,4-thiadiazol-2-yl]benzenecarbonitrile Openeye Name: 4-(5-benzylsulfonyl-1,3,4-thiadiazol-2-yl)benzonitrile CAS Name: 4-[5-(phenylmethyl)sulfonyl-1,3,4-thiadiazol-2-yl]benzonitrile IUPAC Name: 4-(5-benzylsulfonyl-1,3,4-thiadiazol-2-yl)benzonitrile Traditional Name: 4-(5-benzylsulfonyl-1,3,4-thiadiazol-2-yl)benzonitrile Formula: C16H11N3O2S2 MolecularWeight: 341.40744

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CS(=O)(=O)C2=NN=C(S2)C3=CC=C(C=C3)C#N

Isomeric SMILES

C1=CC=C(C=C1)CS(=O)(=O)C2=NN=C(S2)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C16H11N3O2S2/c17-10-12-6-8-14(9-7-12)15-18-19-16(22-15)23(20,21)11-13-4-2-1-3-5-13/h1-9H,11H2