[5-(1H-indol-5-ylmethylamino)-3-pyridin-3-yl-1,2,4-triazol-1-yl]-thiophen-2-yl-methanone

Systemtic Name: [5-(1H-indol-5-ylmethylamino)-3-pyridin-3-yl-1,2,4-triazol-1-yl]-thiophen-2-yl-methanone Openeye Name: [5-(1H-indol-5-ylmethylamino)-3-(3-pyridyl)-1,2,4-triazol-1-yl]-(2-thienyl)methanone CAS Name: [5-(1H-indol-5-ylmethylamino)-3-(3-pyridinyl)-1,2,4-triazol-1-yl]-thiophen-2-ylmethanone IUPAC Name: [5-(1H-indol-5-ylmethylamino)-3-pyridin-3-yl-1,2,4-triazol-1-yl]-thiophen-2-ylmethanone Traditional Name: [5-(1H-indol-5-ylmethylamino)-3-(3-pyridyl)-1,2,4-triazol-1-yl]-(2-thienyl)methanone Formula: C21H16N6OS MolecularWeight: 400.45634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C2=NN(C(=N2)NCC3=CC4=C(C=C3)NC=C4)C(=O)C5=CC=CS5

Isomeric SMILES

C1=CC(=CN=C1)C2=NN(C(=N2)NCC3=CC4=C(C=C3)NC=C4)C(=O)C5=CC=CS5

InChI

InChI=1S/C21H16N6OS/c28-20(18-4-2-10-29-18)27-21(25-19(26-27)16-3-1-8-22-13-16)24-12-14-5-6-17-15(11-14)7-9-23-17/h1-11,13,23H,12H2,(H,24,25,26)