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

Systemtic Name: 2-[[4-(3-chloranyl-4-methyl-phenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 2-[[4-(3-chloro-4-methyl-phenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile CAS Name: 2-[[[4-(3-chloro-4-methylphenyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 2-[[4-(3-chloro-4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile Traditional Name: 2-[[[4-(3-chloro-4-methyl-phenyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile Formula: C17H13ClN4S MolecularWeight: 340.82992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C=NN=C2SCC3=CC=CC=C3C#N)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2C=NN=C2SCC3=CC=CC=C3C#N)Cl

InChI

InChI=1S/C17H13ClN4S/c1-12-6-7-15(8-16(12)18)22-11-20-21-17(22)23-10-14-5-3-2-4-13(14)9-19/h2-8,11H,10H2,1H3