2-[[5-(1H-indol-3-ylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[[5-(1H-indol-3-ylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(phenylmethyl)ethanamide Openeye Name: 2-[[4-allyl-5-(1H-indol-3-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-benzyl-acetamide CAS Name: 2-[[5-(1H-indol-3-ylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[[5-(1H-indol-3-ylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[4-allyl-5-(1H-indol-3-ylmethyl)-1,2,4-triazol-3-yl]thio]-N-benzyl-acetamide Formula: C23H23N5OS MolecularWeight: 417.52662

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)NCC2=CC=CC=C2)CC3=CNC4=CC=CC=C43

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)NCC2=CC=CC=C2)CC3=CNC4=CC=CC=C43

InChI

InChI=1S/C23H23N5OS/c1-2-12-28-21(13-18-15-24-20-11-7-6-10-19(18)20)26-27-23(28)30-16-22(29)25-14-17-8-4-3-5-9-17/h2-11,15,24H,1,12-14,16H2,(H,25,29)