N-(2-cyano-3-methyl-butan-2-yl)-2-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide

Systemtic Name: N-(2-cyano-3-methyl-butan-2-yl)-2-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: N-(1-cyano-1,2-dimethyl-propyl)-2-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: N-(2-cyano-3-methylbutan-2-yl)-2-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: N-(2-cyano-3-methylbutan-2-yl)-2-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: N-(1-cyano-1,2-dimethyl-propyl)-2-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]thio]propionamide Formula: C18H23N5O2S MolecularWeight: 373.47252

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C#N)NC(=O)C(C)SC1=NN=CN1C2=CC(=CC=C2)OC

Isomeric SMILES

CC(C)C(C)(C#N)NC(=O)C(C)SC1=NN=CN1C2=CC(=CC=C2)OC

InChI

InChI=1S/C18H23N5O2S/c1-12(2)18(4,10-19)21-16(24)13(3)26-17-22-20-11-23(17)14-7-6-8-15(9-14)25-5/h6-9,11-13H,1-5H3,(H,21,24)