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

Systemtic Name: 2-[[5-(3-chloranyl-4-methyl-phenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 2-[[5-(3-chloro-4-methyl-phenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile CAS Name: 2-[[[5-(3-chloro-4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 2-[[5-(3-chloro-4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile Traditional Name: 2-[[[5-(3-chloro-4-methyl-phenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]benzonitrile Formula: C23H17ClN4S MolecularWeight: 416.92588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC4=CC=CC=C4C#N)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC4=CC=CC=C4C#N)Cl

InChI

InChI=1S/C23H17ClN4S/c1-16-11-12-17(13-21(16)24)22-26-27-23(28(22)20-9-3-2-4-10-20)29-15-19-8-6-5-7-18(19)14-25/h2-13H,15H2,1H3