2-[4-(4-chloranyl-2,5-dimethoxy-phenyl)-5-prop-2-ynylsulfanyl-1,2,4-triazol-3-yl]ethanenitrile

Systemtic Name: 2-[4-(4-chloranyl-2,5-dimethoxy-phenyl)-5-prop-2-ynylsulfanyl-1,2,4-triazol-3-yl]ethanenitrile Openeye Name: 2-[4-(4-chloro-2,5-dimethoxy-phenyl)-5-prop-2-ynylsulfanyl-1,2,4-triazol-3-yl]acetonitrile CAS Name: 2-[4-(4-chloro-2,5-dimethoxyphenyl)-5-(prop-2-ynylthio)-1,2,4-triazol-3-yl]acetonitrile IUPAC Name: 2-[4-(4-chloro-2,5-dimethoxyphenyl)-5-prop-2-ynylsulfanyl-1,2,4-triazol-3-yl]acetonitrile Traditional Name: 2-[4-(4-chloro-2,5-dimethoxy-phenyl)-5-(propargylthio)-1,2,4-triazol-3-yl]acetonitrile Formula: C15H13ClN4O2S MolecularWeight: 348.80732

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1N2C(=NN=C2SCC#C)CC#N)OC)Cl

Isomeric SMILES

COC1=CC(=C(C=C1N2C(=NN=C2SCC#C)CC#N)OC)Cl

InChI

InChI=1S/C15H13ClN4O2S/c1-4-7-23-15-19-18-14(5-6-17)20(15)11-9-12(21-2)10(16)8-13(11)22-3/h1,8-9H,5,7H2,2-3H3