3-azanyl-2-[2-[[4-ethyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoyl]but-2-enenitrile

Systemtic Name: 3-azanyl-2-[2-[[4-ethyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoyl]but-2-enenitrile Openeye Name: 3-amino-2-[2-[[4-ethyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]but-2-enenitrile CAS Name: 3-amino-2-[2-[[4-ethyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-1-oxoethyl]-2-butenenitrile IUPAC Name: 3-amino-2-[2-[[4-ethyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]but-2-enenitrile Traditional Name: 3-amino-2-[2-[[4-ethyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]thio]acetyl]but-2-enenitrile Formula: C17H19N5O2S MolecularWeight: 357.43006

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)C(=C(C)N)C#N)C2=CC=CC=C2OC

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)C(=C(C)N)C#N)C2=CC=CC=C2OC

InChI

InChI=1S/C17H19N5O2S/c1-4-22-16(12-7-5-6-8-15(12)24-3)20-21-17(22)25-10-14(23)13(9-18)11(2)19/h5-8H,4,10,19H2,1-3H3