ethyl N-[2-[[4-(3,4-dimethylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]ethanoyl]carbamate

Systemtic Name: ethyl N-[2-[[4-(3,4-dimethylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]ethanoyl]carbamate Openeye Name: ethyl N-[2-[[4-(3,4-dimethylphenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]carbamate CAS Name: N-[2-[[4-(3,4-dimethylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]-1-oxoethyl]carbamic acid ethyl ester IUPAC Name: ethyl N-[2-[[4-(3,4-dimethylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]carbamate Traditional Name: N-[2-[[4-(3,4-dimethylphenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetyl]carbamic acid ethyl ester Formula: C20H21N5O3S MolecularWeight: 411.47744

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC(=O)CSC1=NN=C(N1C2=CC(=C(C=C2)C)C)C3=CC=NC=C3

Isomeric SMILES

CCOC(=O)NC(=O)CSC1=NN=C(N1C2=CC(=C(C=C2)C)C)C3=CC=NC=C3

InChI

InChI=1S/C20H21N5O3S/c1-4-28-20(27)22-17(26)12-29-19-24-23-18(15-7-9-21-10-8-15)25(19)16-6-5-13(2)14(3)11-16/h5-11H,4,12H2,1-3H3,(H,22,26,27)