2-[(5-methyl-1,3,4-thiadiazol-2-yl)-sulfanyl-methyl]benzenecarbonitrile

Systemtic Name: 2-[(5-methyl-1,3,4-thiadiazol-2-yl)-sulfanyl-methyl]benzenecarbonitrile Openeye Name: 2-[(5-methyl-1,3,4-thiadiazol-2-yl)-sulfanyl-methyl]benzonitrile CAS Name: 2-[mercapto-(5-methyl-1,3,4-thiadiazol-2-yl)methyl]benzonitrile IUPAC Name: 2-[(5-methyl-1,3,4-thiadiazol-2-yl)-sulfanylmethyl]benzonitrile Traditional Name: 2-[mercapto-(5-methyl-1,3,4-thiadiazol-2-yl)methyl]benzonitrile Formula: C11H9N3S2 MolecularWeight: 247.33926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(S1)C(C2=CC=CC=C2C#N)S

Isomeric SMILES

CC1=NN=C(S1)C(C2=CC=CC=C2C#N)S

InChI

InChI=1S/C11H9N3S2/c1-7-13-14-11(16-7)10(15)9-5-3-2-4-8(9)6-12/h2-5,10,15H,1H3