(2R)-N-cycloheptyl-2-[[5-(4-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]propanamide

Systemtic Name: (2R)-N-cycloheptyl-2-[[5-(4-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: (2R)-2-[[4-allyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cycloheptyl-propanamide CAS Name: (2R)-N-cycloheptyl-2-[[5-(4-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: (2R)-N-cycloheptyl-2-[[5-(4-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: (2R)-2-[[4-allyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-cycloheptyl-propionamide Formula: C22H30N4O2S MolecularWeight: 414.5642

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCCCC1)SC2=NN=C(N2CC=C)C3=CC=C(C=C3)OC

Isomeric SMILES

C[C@H](C(=O)NC1CCCCCC1)SC2=NN=C(N2CC=C)C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H30N4O2S/c1-4-15-26-20(17-11-13-19(28-3)14-12-17)24-25-22(26)29-16(2)21(27)23-18-9-7-5-6-8-10-18/h4,11-14,16,18H,1,5-10,15H2,2-3H3,(H,23,27)/t16-/m1/s1