N-[(1R)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-1-ethyl-benzotriazole-5-carboxamide

Systemtic Name: N-[(1R)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-1-ethyl-benzotriazole-5-carboxamide Openeye Name: N-[(1R)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-1-ethyl-benzotriazole-5-carboxamide CAS Name: N-[(1R)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-1-ethyl-5-benzotriazolecarboxamide IUPAC Name: N-[(1R)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-1-ethylbenzotriazole-5-carboxamide Traditional Name: N-[(1R)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-1-ethyl-benzotriazole-5-carboxamide Formula: C20H22N6OS MolecularWeight: 394.49328

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)NC(CCSC)C3=NC4=CC=CC=C4N3)N=N1

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)N[C@H](CCSC)C3=NC4=CC=CC=C4N3)N=N1

InChI

InChI=1S/C20H22N6OS/c1-3-26-18-9-8-13(12-17(18)24-25-26)20(27)23-16(10-11-28-2)19-21-14-6-4-5-7-15(14)22-19/h4-9,12,16H,3,10-11H2,1-2H3,(H,21,22)(H,23,27)/t16-/m1/s1