(2R)-N-cycloheptyl-2-[[4-(furan-2-ylmethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide

Systemtic Name: (2R)-N-cycloheptyl-2-[[4-(furan-2-ylmethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: (2R)-N-cycloheptyl-2-[[4-(2-furylmethyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: (2R)-N-cycloheptyl-2-[[4-(2-furanylmethyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: (2R)-N-cycloheptyl-2-[[4-(furan-2-ylmethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: (2R)-N-cycloheptyl-2-[[4-(2-furfuryl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]propionamide Formula: C22H27N5O2S MolecularWeight: 425.54708

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCCCC1)SC2=NN=C(N2CC3=CC=CO3)C4=CN=CC=C4

Isomeric SMILES

C[C@H](C(=O)NC1CCCCCC1)SC2=NN=C(N2CC3=CC=CO3)C4=CN=CC=C4

InChI

InChI=1S/C22H27N5O2S/c1-16(21(28)24-18-9-4-2-3-5-10-18)30-22-26-25-20(17-8-6-12-23-14-17)27(22)15-19-11-7-13-29-19/h6-8,11-14,16,18H,2-5,9-10,15H2,1H3,(H,24,28)/t16-/m1/s1