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

Systemtic Name: 2-[4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]phenyl]benzonitrile CAS Name: 2-[4-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]phenyl]benzonitrile IUPAC Name: 2-[4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]phenyl]benzonitrile Traditional Name: 2-[4-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]phenyl]benzonitrile Formula: C17H13N3S2 MolecularWeight: 323.43522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(S1)SCC2=CC=C(C=C2)C3=CC=CC=C3C#N

Isomeric SMILES

CC1=NN=C(S1)SCC2=CC=C(C=C2)C3=CC=CC=C3C#N

InChI

InChI=1S/C17H13N3S2/c1-12-19-20-17(22-12)21-11-13-6-8-14(9-7-13)16-5-3-2-4-15(16)10-18/h2-9H,11H2,1H3