(2R)-N-cyclopropyl-2-[[5-(2-methylfuran-3-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-2-phenyl-ethanamide

Systemtic Name: (2R)-N-cyclopropyl-2-[[5-(2-methylfuran-3-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-2-phenyl-ethanamide Openeye Name: (2R)-2-[[4-allyl-5-(2-methyl-3-furyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopropyl-2-phenyl-acetamide CAS Name: (2R)-N-cyclopropyl-2-[[5-(2-methyl-3-furanyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-2-phenylacetamide IUPAC Name: (2R)-N-cyclopropyl-2-[[5-(2-methylfuran-3-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-2-phenylacetamide Traditional Name: (2R)-2-[[4-allyl-5-(2-methyl-3-furyl)-1,2,4-triazol-3-yl]thio]-N-cyclopropyl-2-phenyl-acetamide Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CO1)C2=NN=C(N2CC=C)SC(C3=CC=CC=C3)C(=O)NC4CC4

Isomeric SMILES

CC1=C(C=CO1)C2=NN=C(N2CC=C)S[C@H](C3=CC=CC=C3)C(=O)NC4CC4

InChI

InChI=1S/C21H22N4O2S/c1-3-12-25-19(17-11-13-27-14(17)2)23-24-21(25)28-18(15-7-5-4-6-8-15)20(26)22-16-9-10-16/h3-8,11,13,16,18H,1,9-10,12H2,2H3,(H,22,26)/t18-/m1/s1