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

Systemtic Name: 2-[[5-(1H-indol-3-ylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-nitrophenyl)ethanamide Openeye Name: 2-[[4-allyl-5-(1H-indol-3-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-nitrophenyl)acetamide CAS Name: 2-[[5-(1H-indol-3-ylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-N-(3-nitrophenyl)acetamide IUPAC Name: 2-[[5-(1H-indol-3-ylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-nitrophenyl)acetamide Traditional Name: 2-[[4-allyl-5-(1H-indol-3-ylmethyl)-1,2,4-triazol-3-yl]thio]-N-(3-nitrophenyl)acetamide Formula: C22H20N6O3S MolecularWeight: 448.4976

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)NC2=CC(=CC=C2)[N+](=O)[O-])CC3=CNC4=CC=CC=C43

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)NC2=CC(=CC=C2)[N+](=O)[O-])CC3=CNC4=CC=CC=C43

InChI

InChI=1S/C22H20N6O3S/c1-2-10-27-20(11-15-13-23-19-9-4-3-8-18(15)19)25-26-22(27)32-14-21(29)24-16-6-5-7-17(12-16)28(30)31/h2-9,12-13,23H,1,10-11,14H2,(H,24,29)