(E)-3-azanyl-2-[2-[[1-(2,5-dimethylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]ethanoyl]but-2-enenitrile

Systemtic Name: (E)-3-azanyl-2-[2-[[1-(2,5-dimethylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]ethanoyl]but-2-enenitrile Openeye Name: (E)-3-amino-2-[2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanylacetyl]but-2-enenitrile CAS Name: (E)-3-amino-2-[2-[[1-(2,5-dimethylphenyl)-5-tetrazolyl]thio]-1-oxoethyl]-2-butenenitrile IUPAC Name: (E)-3-amino-2-[2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanylacetyl]but-2-enenitrile Traditional Name: (E)-3-amino-2-[2-[[1-(2,5-dimethylphenyl)tetrazol-5-yl]thio]acetyl]but-2-enenitrile Formula: C15H16N6OS MolecularWeight: 328.39214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2C(=NN=N2)SCC(=O)C(=C(C)N)C#N

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2C(=NN=N2)SCC(=O)/C(=C(\C)/N)/C#N

InChI

InChI=1S/C15H16N6OS/c1-9-4-5-10(2)13(6-9)21-15(18-19-20-21)23-8-14(22)12(7-16)11(3)17/h4-6H,8,17H2,1-3H3/b12-11+