methyl N-[(2R)-2-[[5-(furan-2-yl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanoyl]carbamate

Systemtic Name: methyl N-[(2R)-2-[[5-(furan-2-yl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanoyl]carbamate Openeye Name: methyl N-[(2R)-2-[[4-benzyl-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanyl]propanoyl]carbamate CAS Name: N-[(2R)-2-[[5-(2-furanyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-1-oxopropyl]carbamic acid methyl ester IUPAC Name: methyl N-[(2R)-2-[[4-benzyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]propanoyl]carbamate Traditional Name: N-[(2R)-2-[[4-benzyl-5-(2-furyl)-1,2,4-triazol-3-yl]thio]propanoyl]carbamic acid methyl ester Formula: C18H18N4O4S MolecularWeight: 386.42492

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)OC)SC1=NN=C(N1CC2=CC=CC=C2)C3=CC=CO3

Isomeric SMILES

C[C@H](C(=O)NC(=O)OC)SC1=NN=C(N1CC2=CC=CC=C2)C3=CC=CO3

InChI

InChI=1S/C18H18N4O4S/c1-12(16(23)19-18(24)25-2)27-17-21-20-15(14-9-6-10-26-14)22(17)11-13-7-4-3-5-8-13/h3-10,12H,11H2,1-2H3,(H,19,23,24)/t12-/m1/s1