2-[[5-(2-methylfuran-3-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[[5-(2-methylfuran-3-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-N-(phenylmethyl)ethanamide Openeye Name: 2-[[4-allyl-5-(2-methyl-3-furyl)-1,2,4-triazol-3-yl]sulfanyl]-N-benzyl-N-phenethyl-acetamide CAS Name: 2-[[5-(2-methyl-3-furanyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-N-phenethyl-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[[5-(2-methylfuran-3-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenethylacetamide Traditional Name: 2-[[4-allyl-5-(2-methyl-3-furyl)-1,2,4-triazol-3-yl]thio]-N-benzyl-N-phenethyl-acetamide Formula: C27H28N4O2S MolecularWeight: 472.60182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CO1)C2=NN=C(N2CC=C)SCC(=O)N(CCC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=CO1)C2=NN=C(N2CC=C)SCC(=O)N(CCC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C27H28N4O2S/c1-3-16-31-26(24-15-18-33-21(24)2)28-29-27(31)34-20-25(32)30(19-23-12-8-5-9-13-23)17-14-22-10-6-4-7-11-22/h3-13,15,18H,1,14,16-17,19-20H2,2H3