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

Systemtic Name: 3-[[5-(2-chloranyl-4-methyl-phenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 3-[[5-(2-chloro-4-methyl-phenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile CAS Name: 3-[[[5-(2-chloro-4-methylphenyl)-4-methyl-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 3-[[5-(2-chloro-4-methylphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile Traditional Name: 3-[[[5-(2-chloro-4-methyl-phenyl)-4-methyl-1,2,4-triazol-3-yl]thio]methyl]benzonitrile Formula: C18H15ClN4S MolecularWeight: 354.8565

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=NN=C(N2C)SCC3=CC=CC(=C3)C#N)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)C2=NN=C(N2C)SCC3=CC=CC(=C3)C#N)Cl

InChI

InChI=1S/C18H15ClN4S/c1-12-6-7-15(16(19)8-12)17-21-22-18(23(17)2)24-11-14-5-3-4-13(9-14)10-20/h3-9H,11H2,1-2H3