1-[[5-(1H-indol-3-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-phenylazanyl-propan-2-ol

Systemtic Name: 1-[[5-(1H-indol-3-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-phenylazanyl-propan-2-ol Openeye Name: 1-anilino-3-[[5-(1H-indol-3-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-2-ol CAS Name: 1-anilino-3-[[5-(1H-indol-3-ylmethylamino)-1,3,4-thiadiazol-2-yl]thio]-2-propanol IUPAC Name: 1-anilino-3-[[5-(1H-indol-3-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-2-ol Traditional Name: 1-anilino-3-[[5-(1H-indol-3-ylmethylamino)-1,3,4-thiadiazol-2-yl]thio]propan-2-ol Formula: C20H21N5OS2 MolecularWeight: 411.54364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NCC(CSC2=NN=C(S2)NCC3=CNC4=CC=CC=C43)O

Isomeric SMILES

C1=CC=C(C=C1)NCC(CSC2=NN=C(S2)NCC3=CNC4=CC=CC=C43)O

InChI

InChI=1S/C20H21N5OS2/c26-16(12-21-15-6-2-1-3-7-15)13-27-20-25-24-19(28-20)23-11-14-10-22-18-9-5-4-8-17(14)18/h1-10,16,21-22,26H,11-13H2,(H,23,24)