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

Systemtic Name: 2-[3-azanyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]-N-(6-methoxy-1,3-benzothiazol-2-yl)ethanamide Openeye Name: 2-(3-amino-5-benzylsulfanyl-1,2,4-triazol-4-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide CAS Name: 2-[3-amino-5-(phenylmethylthio)-1,2,4-triazol-4-yl]-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide IUPAC Name: 2-(3-amino-5-benzylsulfanyl-1,2,4-triazol-4-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide Traditional Name: 2-[3-amino-5-(benzylthio)-1,2,4-triazol-4-yl]-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide Formula: C19H18N6O2S2 MolecularWeight: 426.51522

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(S2)NC(=O)CN3C(=NN=C3SCC4=CC=CC=C4)N

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(S2)NC(=O)CN3C(=NN=C3SCC4=CC=CC=C4)N

InChI

InChI=1S/C19H18N6O2S2/c1-27-13-7-8-14-15(9-13)29-18(21-14)22-16(26)10-25-17(20)23-24-19(25)28-11-12-5-3-2-4-6-12/h2-9H,10-11H2,1H3,(H2,20,23)(H,21,22,26)