N-[4-[5-(cyanomethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]phenyl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[4-[5-(cyanomethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]phenyl]-4-methyl-benzenesulfonamide Openeye Name: N-[4-[5-(cyanomethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]phenyl]-4-methyl-benzenesulfonamide CAS Name: N-[4-[5-(cyanomethylthio)-4-methyl-1,2,4-triazol-3-yl]phenyl]-4-methylbenzenesulfonamide IUPAC Name: N-[4-[5-(cyanomethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]phenyl]-4-methylbenzenesulfonamide Traditional Name: N-[4-[5-(cyanomethylthio)-4-methyl-1,2,4-triazol-3-yl]phenyl]-4-methyl-benzenesulfonamide Formula: C18H17N5O2S2 MolecularWeight: 399.48988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C3=NN=C(N3C)SCC#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C3=NN=C(N3C)SCC#N

InChI

InChI=1S/C18H17N5O2S2/c1-13-3-9-16(10-4-13)27(24,25)22-15-7-5-14(6-8-15)17-20-21-18(23(17)2)26-12-11-19/h3-10,22H,12H2,1-2H3