3-(2-chlorophenyl)-N2-(5-isoquinolin-6-yl-1,3,4-thiadiazol-2-yl)propane-1,2-diamine

Systemtic Name: 3-(2-chlorophenyl)-N2-(5-isoquinolin-6-yl-1,3,4-thiadiazol-2-yl)propane-1,2-diamine Openeye Name: 3-(2-chlorophenyl)-N2-[5-(6-isoquinolyl)-1,3,4-thiadiazol-2-yl]propane-1,2-diamine CAS Name: 3-(2-chlorophenyl)-N2-[5-(6-isoquinolinyl)-1,3,4-thiadiazol-2-yl]propane-1,2-diamine IUPAC Name: 3-(2-chlorophenyl)-2-N-(5-isoquinolin-6-yl-1,3,4-thiadiazol-2-yl)propane-1,2-diamine Traditional Name: [1-(aminomethyl)-2-(2-chlorophenyl)ethyl]-[5-(6-isoquinolyl)-1,3,4-thiadiazol-2-yl]amine Formula: C20H18ClN5S MolecularWeight: 395.90842

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CC(CN)NC2=NN=C(S2)C3=CC4=C(C=C3)C=NC=C4)Cl

Isomeric SMILES

C1=CC=C(C(=C1)CC(CN)NC2=NN=C(S2)C3=CC4=C(C=C3)C=NC=C4)Cl

InChI

InChI=1S/C20H18ClN5S/c21-18-4-2-1-3-14(18)10-17(11-22)24-20-26-25-19(27-20)15-5-6-16-12-23-8-7-13(16)9-15/h1-9,12,17H,10-11,22H2,(H,24,26)