3-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)benzenecarbonitrile

Systemtic Name: 3-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)benzenecarbonitrile Openeye Name: 3-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)benzonitrile CAS Name: 3-[3-methyl-5-(methylthio)-1,2,4-triazol-4-yl]benzonitrile IUPAC Name: 3-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)benzonitrile Traditional Name: 3-[3-methyl-5-(methylthio)-1,2,4-triazol-4-yl]benzonitrile Formula: C11H10N4S MolecularWeight: 230.2889

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2=CC=CC(=C2)C#N)SC

Isomeric SMILES

CC1=NN=C(N1C2=CC=CC(=C2)C#N)SC

InChI

InChI=1S/C11H10N4S/c1-8-13-14-11(16-2)15(8)10-5-3-4-9(6-10)7-12/h3-6H,1-2H3