2-[[4-(3-chloranyl-4-methoxy-phenyl)-5-(5-chloranyl-2-methoxy-phenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanenitrile

Systemtic Name: 2-[[4-(3-chloranyl-4-methoxy-phenyl)-5-(5-chloranyl-2-methoxy-phenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanenitrile Openeye Name: 2-[[4-(3-chloro-4-methoxy-phenyl)-5-(5-chloro-2-methoxy-phenyl)-1,2,4-triazol-3-yl]sulfanyl]acetonitrile CAS Name: 2-[[4-(3-chloro-4-methoxyphenyl)-5-(5-chloro-2-methoxyphenyl)-1,2,4-triazol-3-yl]thio]acetonitrile IUPAC Name: 2-[[4-(3-chloro-4-methoxyphenyl)-5-(5-chloro-2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetonitrile Traditional Name: 2-[[4-(3-chloro-4-methoxy-phenyl)-5-(5-chloro-2-methoxy-phenyl)-1,2,4-triazol-3-yl]thio]acetonitrile Formula: C18H14Cl2N4O2S MolecularWeight: 421.30036

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)C2=NN=C(N2C3=CC(=C(C=C3)OC)Cl)SCC#N

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)C2=NN=C(N2C3=CC(=C(C=C3)OC)Cl)SCC#N

InChI

InChI=1S/C18H14Cl2N4O2S/c1-25-15-5-3-11(19)9-13(15)17-22-23-18(27-8-7-21)24(17)12-4-6-16(26-2)14(20)10-12/h3-6,9-10H,8H2,1-2H3