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

Systemtic Name: 1-[[5-(1H-indol-3-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-(1H-pyrrol-2-ylamino)propan-2-ol Openeye Name: 1-[[5-(1H-indol-3-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-(1H-pyrrol-2-ylamino)propan-2-ol CAS Name: 1-[[5-(1H-indol-3-ylmethylamino)-1,3,4-thiadiazol-2-yl]thio]-3-(1H-pyrrol-2-ylamino)-2-propanol IUPAC Name: 1-[[5-(1H-indol-3-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-(1H-pyrrol-2-ylamino)propan-2-ol Traditional Name: 1-[[5-(1H-indol-3-ylmethylamino)-1,3,4-thiadiazol-2-yl]thio]-3-(1H-pyrrol-2-ylamino)propan-2-ol Formula: C18H20N6OS2 MolecularWeight: 400.521

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CNC3=NN=C(S3)SCC(CNC4=CC=CN4)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)CNC3=NN=C(S3)SCC(CNC4=CC=CN4)O

InChI

InChI=1S/C18H20N6OS2/c25-13(10-21-16-6-3-7-19-16)11-26-18-24-23-17(27-18)22-9-12-8-20-15-5-2-1-4-14(12)15/h1-8,13,19-21,25H,9-11H2,(H,22,23)