2-[3-azanyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide

Systemtic Name: 2-[3-azanyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide Openeye Name: 2-(3-amino-5-benzylsulfanyl-1,2,4-triazol-4-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide CAS Name: 2-[3-amino-5-(phenylmethylthio)-1,2,4-triazol-4-yl]-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide IUPAC Name: 2-(3-amino-5-benzylsulfanyl-1,2,4-triazol-4-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide Traditional Name: 2-[3-amino-5-(benzylthio)-1,2,4-triazol-4-yl]-N-(6-methoxy-1,3-benzothiazol-2-yl)propionamide Formula: C20H20N6O2S2 MolecularWeight: 440.5418

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NC2=C(S1)C=C(C=C2)OC)N3C(=NN=C3SCC4=CC=CC=C4)N

Isomeric SMILES

CC(C(=O)NC1=NC2=C(S1)C=C(C=C2)OC)N3C(=NN=C3SCC4=CC=CC=C4)N

InChI

InChI=1S/C20H20N6O2S2/c1-12(17(27)23-19-22-15-9-8-14(28-2)10-16(15)30-19)26-18(21)24-25-20(26)29-11-13-6-4-3-5-7-13/h3-10,12H,11H2,1-2H3,(H2,21,24)(H,22,23,27)