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

Systemtic Name: N-(1-cyanocyclohexyl)-2-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: N-(1-cyanocyclohexyl)-2-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: N-(1-cyanocyclohexyl)-2-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: N-(1-cyanocyclohexyl)-2-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: N-(1-cyanocyclohexyl)-2-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]thio]propionamide Formula: C19H23N5O2S MolecularWeight: 385.48322

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1(CCCCC1)C#N)SC2=NN=CN2C3=CC=CC=C3OC

Isomeric SMILES

CC(C(=O)NC1(CCCCC1)C#N)SC2=NN=CN2C3=CC=CC=C3OC

InChI

InChI=1S/C19H23N5O2S/c1-14(17(25)22-19(12-20)10-6-3-7-11-19)27-18-23-21-13-24(18)15-8-4-5-9-16(15)26-2/h4-5,8-9,13-14H,3,6-7,10-11H2,1-2H3,(H,22,25)