2-[[4-azanyl-5-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanenitrile

Systemtic Name: 2-[[4-azanyl-5-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanenitrile Openeye Name: 2-[[4-amino-5-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetonitrile CAS Name: 2-[[4-amino-5-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]thio]acetonitrile IUPAC Name: 2-[[4-amino-5-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetonitrile Traditional Name: 2-[(4-amino-5-p-phenetyl-1,2,4-triazol-3-yl)thio]acetonitrile Formula: C12H13N5OS MolecularWeight: 275.32952

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NN=C(N2N)SCC#N

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NN=C(N2N)SCC#N

InChI

InChI=1S/C12H13N5OS/c1-2-18-10-5-3-9(4-6-10)11-15-16-12(17(11)14)19-8-7-13/h3-6H,2,8,14H2,1H3